data_2mfh_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 2mfh _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mt -132.03 153.18 50.66 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -135.98 137.59 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -130.18 159.09 37.89 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.256 1.422 . . . . 0.0 108.054 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -139.02 96.35 3.1 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 172.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.26 162.55 28.72 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.101 0.961 . . . . 0.0 109.583 -176.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -112.16 176.04 5.18 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -169.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.468 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.3 m -57.87 133.11 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 120.979 0.418 . . . . 0.0 111.135 -174.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.97 -16.72 59.11 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.675 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -73.48 171.27 13.47 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 117.886 0.843 . . . . 0.0 111.293 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -142.27 158.11 44.09 Favored 'General case' 0 CA--C 1.526 0.047 0 C-N-CA 122.585 0.354 . . . . 0.0 110.814 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mm -141.78 165.15 18.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 125.606 1.562 . . . . 0.0 106.846 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -139.27 155.3 47.85 Favored 'General case' 0 C--O 1.233 0.192 0 O-C-N 121.611 -0.68 . . . . 0.0 112.495 -174.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mt -139.93 149.92 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 123.998 0.919 . . . . 0.0 108.852 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.84 -142.07 35.22 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -127.87 10.63 6.53 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.767 0.827 . . . . 0.0 109.476 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -143.66 12.06 1.68 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.174 0.589 . . . . 0.0 111.958 -176.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -127.97 146.27 33.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 CA-C-N 119.174 0.897 . . . . 0.0 110.803 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.9 m -139.76 154.13 47.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.798 0.839 . . . . 0.0 108.865 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mm -134.72 144.99 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.8 m -140.16 147.89 40.81 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -105.38 99.24 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.52 -27.8 65.48 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.221 -173.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.468 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 157.55 -173.52 34.96 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-N 117.969 0.349 . . . . 0.0 113.153 174.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.3 m -134.69 163.3 37.03 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 C-N-CA 122.662 0.385 . . . . 0.0 111.363 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -150.17 89.69 1.61 Allowed 'General case' 0 C--O 1.232 0.173 0 C-N-CA 124.23 1.012 . . . . 0.0 109.16 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.03 -90.28 0.79 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -114.63 -16.85 11.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 173.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -71.45 152.48 43.04 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -143.08 107.94 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -87.33 130.74 34.51 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -131.57 155.72 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.597 -169.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.49 154.72 20.15 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -139.56 145.48 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -176.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -140.26 107.12 5.39 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.32 157.91 38.84 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 123.77 0.828 . . . . 0.0 109.646 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.94 158.18 52.81 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 123.228 2.618 . . . . 0.0 110.844 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -71.82 -2.43 17.68 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.13 0.491 . . . . 0.0 110.549 176.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -72.4 -6.03 40.62 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.202 1.001 . . . . 0.0 111.143 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.6 167.96 20.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 C-N-CA 123.673 0.789 . . . . 0.0 109.176 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.46 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . -111.43 157.25 20.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.362 0.125 . . . . 0.0 111.307 -175.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -156.05 125.51 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.46 ' HE2' ' HB3' ' A' ' 41' ' ' ALA . 7.5 m-70 -157.51 170.32 22.7 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 124.061 0.945 . . . . 0.0 109.026 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -78.73 165.29 23.77 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 175.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -58.67 -25.82 63.18 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -172.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -65.01 -45.59 84.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.838 0.351 . . . . 0.0 111.075 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.0 mm -81.8 -24.09 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 120.797 0.332 . . . . 0.0 110.495 -173.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 84.0 t80 . . . . . 0 N--CA 1.454 -0.257 0 C-N-CA 123.165 0.586 . . . . 0.0 111.914 -179.377 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . 0.425 ' C ' HD13 ' C' ' 3' ' ' ILE . 2.4 mt -140.08 149.12 42.7 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.425 HD13 ' C ' ' C' ' 2' ' ' LEU . 4.9 mp -138.29 138.2 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 176.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.76 166.16 26.95 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m -121.73 147.59 45.72 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 121.129 0.49 . . . . 0.0 109.968 -173.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -142.55 173.79 11.22 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 124.773 1.229 . . . . 0.0 107.829 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -138.22 170.92 15.19 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 119.707 1.14 . . . . 0.0 110.238 169.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.453 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 7.9 m -57.87 132.8 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 120.991 0.424 . . . . 0.0 111.937 -172.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.8 -2.06 58.33 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.597 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -106.76 -178.63 3.7 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 117.991 0.896 . . . . 0.0 110.582 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 46.1 m -142.81 168.27 20.11 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -173.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -141.7 164.15 19.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 126.438 1.895 . . . . 0.0 106.724 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -138.94 154.95 48.37 Favored 'General case' 0 C--O 1.231 0.091 0 O-C-N 121.533 -0.729 . . . . 0.0 112.126 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.1 mt -140.51 145.02 26.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.32 -140.78 35.65 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -130.2 11.11 5.43 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.582 0.753 . . . . 0.0 110.142 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -138.28 10.67 2.77 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.789 0.836 . . . . 0.0 112.007 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -129.28 145.79 35.22 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 119.139 0.881 . . . . 0.0 110.69 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 52.5 m -140.78 155.43 46.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.677 0.791 . . . . 0.0 109.017 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -134.28 142.82 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -139.96 125.38 19.04 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.741 0.305 . . . . 0.0 110.329 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.445 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.5 tp -82.92 98.14 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 177.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.36 -27.57 64.44 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.708 -172.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.453 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.86 -173.26 34.53 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 112.011 -0.435 . . . . 0.0 112.011 177.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -129.63 161.13 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.075 0 CA-C-N 117.181 0.491 . . . . 0.0 111.434 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -150.46 89.96 1.61 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.73 -139.19 34.54 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 108.51 -1.836 . . . . 0.0 108.51 -173.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -72.81 -18.4 61.47 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 117.789 0.795 . . . . 0.0 110.173 176.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.61 149.44 47.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.8 t -137.33 117.62 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -177.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -87.08 125.72 34.31 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -134.17 154.53 37.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -173.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.48 159.07 19.99 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.4 mt -140.57 143.11 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -140.27 106.69 5.29 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.38 156.93 42.62 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 123.477 0.711 . . . . 0.0 109.692 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.57 158.28 50.75 Favored 'Trans proline' 0 N--CA 1.449 -1.13 0 C-N-CA 123.197 2.598 . . . . 0.0 111.261 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -71.52 -2.19 15.99 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.708 0.29 . . . . 0.0 110.813 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -70.36 -7.04 39.76 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.219 1.008 . . . . 0.0 111.027 173.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 m -137.83 168.2 20.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 123.836 0.854 . . . . 0.0 108.992 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.64 158.26 19.48 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.8 0.333 . . . . 0.0 111.26 -175.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.5 127.46 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.058 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -155.27 174.25 15.48 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.092 0.557 . . . . 0.0 110.349 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -73.68 157.47 36.51 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 175.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -57.76 -24.05 55.18 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.292 -0.255 . . . . 0.0 110.764 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.33 -48.77 63.98 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.705 0.402 . . . . 0.0 110.984 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 15.4 mm -75.76 -25.15 17.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.299 -174.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.9 t80 . . . . . 0 N--CA 1.451 -0.404 0 C-N-CA 122.812 0.445 . . . . 0.0 111.516 -178.298 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 tpt . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mt -138.46 154.28 48.84 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 175.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -137.57 146.56 27.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 177.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -147.34 166.13 28.05 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.628 0.771 . . . . 0.0 110.277 -175.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -132.75 99.41 4.61 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.454 0.645 . . . . 0.0 109.285 171.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -102.88 159.39 15.54 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 125.372 1.469 . . . . 0.0 108.529 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -122.43 170.62 9.78 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.67 1.123 . . . . 0.0 110.79 171.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.472 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 5.9 m -57.24 135.64 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.431 -172.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.7 1.79 70.53 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.569 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -107.15 -179.98 4.09 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 117.907 0.853 . . . . 0.0 110.748 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -145.36 172.19 13.53 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.4 mt -150.94 158.9 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 126.973 2.109 . . . . 0.0 107.019 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -134.13 154.65 51.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.708 0.686 . . . . 0.0 111.239 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.3 mt -140.08 144.68 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.44 -139.63 30.38 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 109.916 -1.273 . . . . 0.0 109.916 -175.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -130.79 10.61 5.11 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.226 0.61 . . . . 0.0 109.428 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -138.21 10.63 2.79 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.354 0.661 . . . . 0.0 111.51 -178.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.67 145.08 36.1 Favored 'Isoleucine or valine' 0 C--N 1.343 0.297 0 CA-C-N 118.393 0.542 . . . . 0.0 110.257 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.9 m -140.23 156.38 46.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -137.11 145.11 30.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.0 m -142.98 146.14 33.64 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.427 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.3 tp -105.51 97.99 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.8 mt -66.88 -29.97 70.0 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -173.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.472 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.5 -173.35 36.26 Favored Glycine 0 CA--C 1.526 0.753 0 CA-C-N 118.158 0.435 . . . . 0.0 112.517 177.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -134.91 163.64 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 CA-C-O 121.236 0.541 . . . . 0.0 111.3 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.2 t -152.5 89.72 1.44 Allowed 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.72 -102.61 1.54 Allowed Glycine 0 C--N 1.337 0.607 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -106.73 -17.5 14.21 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -71.79 146.08 48.28 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.2 t -137.3 111.11 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 -176.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -84.27 123.86 30.6 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -127.01 155.16 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.121 -172.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.27 154.86 20.51 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.5 mt -141.09 144.45 26.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -175.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -140.56 109.1 5.89 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.87 156.8 40.99 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 123.456 0.702 . . . . 0.0 109.569 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.54 158.58 44.91 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 122.973 2.449 . . . . 0.0 111.13 176.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -70.25 -0.84 8.73 Favored 'General case' 0 CA--C 1.527 0.094 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 173.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -67.17 -11.64 57.87 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.416 1.486 . . . . 0.0 110.905 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 m -138.63 168.39 19.59 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 C-N-CA 123.632 0.773 . . . . 0.0 109.851 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.99 155.66 20.63 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.81 0.338 . . . . 0.0 110.842 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -156.11 129.03 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.086 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -156.84 174.79 14.97 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 123.915 0.886 . . . . 0.0 108.75 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -81.61 168.09 18.54 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 173.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -59.84 -23.19 63.19 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -70.07 -39.88 75.36 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 122.044 -0.41 . . . . 0.0 111.728 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -86.43 -26.21 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -174.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 122.722 0.409 . . . . 0.0 111.068 -178.519 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.55 -0.262 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.7 mt -139.52 154.29 47.65 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 118.269 0.486 . . . . 0.0 109.916 175.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -136.92 145.88 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -146.47 168.3 21.52 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.083 0.953 . . . . 0.0 109.804 -176.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 9.8 m -134.71 101.18 4.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.418 0.627 . . . . 0.0 109.395 171.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -104.05 162.73 12.9 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 124.931 1.293 . . . . 0.0 108.468 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -127.15 168.35 14.78 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 119.359 0.981 . . . . 0.0 110.873 173.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.46 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.0 m -56.86 131.47 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.319 0.58 . . . . 0.0 112.1 -170.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.42 0.79 59.38 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.443 -0.798 . . . . 0.0 112.657 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -110.5 -179.6 3.81 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.972 0.886 . . . . 0.0 109.947 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 41.8 m -144.0 168.26 20.41 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -170.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -141.89 164.74 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 126.144 1.778 . . . . 0.0 107.108 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -140.05 154.3 47.04 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.898 0.772 . . . . 0.0 112.053 -176.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 46.5 mt -141.77 147.51 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -141.42 35.31 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -130.13 10.43 5.38 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.536 0.735 . . . . 0.0 110.285 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -138.94 10.2 2.6 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.648 0.779 . . . . 0.0 111.949 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.27 145.4 35.43 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-N 119.057 0.844 . . . . 0.0 110.709 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -140.75 156.02 46.29 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -135.31 145.79 31.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.5 m -140.05 145.68 38.02 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.441 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.0 OUTLIER -105.75 94.48 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.43 -28.8 69.49 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -173.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.46 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.03 -173.29 36.67 Favored Glycine 0 CA--C 1.524 0.651 0 CA-C-N 118.26 0.482 . . . . 0.0 112.775 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -137.47 163.67 30.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 117.018 0.409 . . . . 0.0 111.185 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.2 t -151.8 89.73 1.49 Allowed 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.993 0.917 . . . . 0.0 109.049 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.78 -102.53 1.42 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -177.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -106.09 -17.77 14.23 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 117.066 0.433 . . . . 0.0 109.903 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -69.26 147.05 51.76 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -139.23 111.98 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 -177.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 ttt-85 -85.77 127.34 34.51 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -131.37 155.04 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -170.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.77 154.58 19.77 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -140.55 142.21 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -139.72 106.12 5.3 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.2 157.93 42.04 Favored Pre-proline 0 N--CA 1.453 -0.295 0 C-N-CA 123.867 0.867 . . . . 0.0 109.395 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.81 158.95 48.11 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 123.252 2.634 . . . . 0.0 110.829 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -70.08 -0.69 8.11 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 121.116 0.484 . . . . 0.0 110.41 172.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.98 -11.6 57.29 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.052 1.341 . . . . 0.0 110.888 173.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 m -137.34 168.55 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.752 0.821 . . . . 0.0 109.838 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.41 155.45 20.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 122.25 -0.281 . . . . 0.0 110.959 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -157.78 128.08 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 174.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -154.43 165.99 34.66 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.89 0.476 . . . . 0.0 109.953 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -63.22 151.49 40.25 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 172.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -64.28 -12.21 39.27 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.616 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.24 -43.87 66.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.421 0.688 . . . . 0.0 110.466 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 16.5 mm -83.1 -25.21 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 O-C-N 122.255 -0.278 . . . . 0.0 110.496 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.3 t80 . . . . . 0 N--CA 1.45 -0.451 0 O-C-N 122.174 -0.329 . . . . 0.0 110.885 178.924 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.536 -0.172 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mt -100.75 152.08 20.91 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.852 0.358 . . . . 0.0 110.473 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -137.09 133.44 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 172.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -161.08 165.55 29.48 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -125.69 147.07 49.47 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 121.066 0.46 . . . . 0.0 111.241 -171.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.81 173.6 11.33 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 125.839 1.656 . . . . 0.0 107.985 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -129.52 171.34 12.68 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.298 0.499 . . . . 0.0 109.883 168.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.471 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.2 m -56.52 133.6 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.768 -174.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.35 1.56 62.41 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.806 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -106.21 179.47 4.26 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.119 0.96 . . . . 0.0 111.542 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.7 m -144.57 168.35 20.35 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -171.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.9 mm -144.88 164.09 13.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 127.119 2.168 . . . . 0.0 107.292 -176.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -135.63 153.41 51.65 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.269 0.94 . . . . 0.0 112.086 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt -140.94 143.13 28.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 177.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.85 -138.75 44.17 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -176.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -130.65 10.32 5.14 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -141.79 11.06 2.03 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.267 0.627 . . . . 0.0 112.055 -175.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.25 141.07 47.26 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.139 0 CA-C-N 118.925 0.784 . . . . 0.0 109.703 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.7 m -136.58 154.85 50.57 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -134.2 146.39 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.1 m -142.58 145.74 33.88 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -102.96 100.53 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.87 -29.77 68.14 Favored 'General case' 0 CA--C 1.528 0.132 0 O-C-N 122.189 -0.32 . . . . 0.0 111.489 -174.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.471 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.26 -174.89 35.49 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-N 118.077 0.399 . . . . 0.0 112.584 176.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -138.71 163.71 27.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 O-C-N 122.411 -0.464 . . . . 0.0 111.044 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.7 t -154.26 115.22 4.03 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 172.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.08 -102.51 0.66 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -115.37 -13.94 11.64 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.954 0.377 . . . . 0.0 110.613 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -71.27 148.75 46.87 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.6 t -137.63 110.79 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -86.65 126.89 34.84 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -128.76 155.22 40.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -170.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.1 154.41 19.84 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 109.764 -1.335 . . . . 0.0 109.764 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.6 mt -140.59 143.06 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -139.52 105.82 5.27 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -176.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.4 157.25 42.22 Favored Pre-proline 0 N--CA 1.452 -0.353 0 C-N-CA 123.496 0.718 . . . . 0.0 109.644 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -64.71 158.72 48.93 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 123.211 2.607 . . . . 0.0 110.884 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -70.76 -0.43 8.92 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 121.178 0.513 . . . . 0.0 110.055 172.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.68 -11.3 53.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.844 1.258 . . . . 0.0 110.698 173.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -138.56 168.63 19.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 123.895 0.878 . . . . 0.0 109.37 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.44 158.38 18.01 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -158.15 129.22 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -155.68 171.43 19.99 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 122.906 0.482 . . . . 0.0 110.015 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -70.05 158.48 35.62 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -61.46 -19.43 61.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.852 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -69.96 -47.86 60.63 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.101 0.56 . . . . 0.0 110.43 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -78.71 -25.65 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 120.697 0.284 . . . . 0.0 110.868 -173.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 . . . . . 0 N--CA 1.449 -0.477 0 C-N-CA 122.736 0.414 . . . . 0.0 111.497 -178.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.0 tpt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mt -138.7 150.8 46.57 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.827 0.451 . . . . 0.0 109.836 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -138.75 134.42 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.51 165.39 26.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -123.17 147.32 46.97 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.218 0.533 . . . . 0.0 111.512 -171.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.25 173.93 11.02 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 125.914 1.686 . . . . 0.0 108.022 -178.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -132.07 170.99 14.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.34 0.518 . . . . 0.0 110.369 168.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.48 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 7.4 m -56.34 128.38 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.771 -173.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.81 4.11 55.81 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.423 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -110.25 179.84 3.98 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.196 0.998 . . . . 0.0 111.113 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -145.63 168.0 21.73 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -172.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -142.29 165.42 17.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 127.064 2.146 . . . . 0.0 106.642 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -139.15 155.56 47.77 Favored 'General case' 0 CA--C 1.524 -0.052 0 O-C-N 121.385 -0.822 . . . . 0.0 112.154 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.0 mt -139.85 152.53 22.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.59 -139.24 35.76 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -130.39 10.43 5.26 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.707 0.803 . . . . 0.0 109.003 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -144.78 12.21 1.45 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.746 0.818 . . . . 0.0 111.871 -175.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -127.43 146.09 33.79 Favored 'Isoleucine or valine' 0 C--N 1.34 0.183 0 CA-C-N 119.018 0.826 . . . . 0.0 110.733 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -138.54 153.47 48.72 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.69 145.08 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -140.68 146.44 37.85 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.405 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.0 OUTLIER -105.04 94.82 3.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -66.66 -28.68 68.66 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.92 -173.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.48 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.42 -173.82 37.05 Favored Glycine 0 CA--C 1.525 0.66 0 CA-C-N 118.035 0.38 . . . . 0.0 113.015 176.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -135.86 163.56 34.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 C-N-CA 122.535 0.334 . . . . 0.0 111.023 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 46.9 t -151.01 89.96 1.57 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.79 -95.39 1.01 Allowed Glycine 0 C--N 1.337 0.59 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -114.35 -15.08 12.16 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 174.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -69.65 149.59 47.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 81.0 t -138.41 111.53 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -87.48 127.99 35.23 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.19 155.39 41.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -169.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.56 153.92 20.16 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.4 mt -140.84 143.35 28.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -175.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -140.24 106.56 5.27 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.18 157.63 42.46 Favored Pre-proline 0 N--CA 1.451 -0.393 0 C-N-CA 123.699 0.8 . . . . 0.0 109.349 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.65 158.04 52.36 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 122.984 2.456 . . . . 0.0 110.872 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -71.71 -3.65 23.05 Favored 'General case' 0 CA--C 1.526 0.038 0 O-C-N 122.115 -0.365 . . . . 0.0 110.506 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -69.57 -7.51 39.12 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.554 1.141 . . . . 0.0 110.989 174.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -136.4 168.67 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.153 0.981 . . . . 0.0 108.528 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.82 157.93 21.66 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.67 0.271 . . . . 0.0 110.959 -175.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -158.26 131.41 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -156.79 172.03 19.34 Favored 'General case' 0 C--N 1.339 0.118 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 73.0 mtm-85 -68.72 156.25 38.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -65.97 -8.42 22.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 110.44 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -79.24 -48.53 14.02 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.449 0.7 . . . . 0.0 109.73 174.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.42 -27.43 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.223 0.609 . . . . 0.0 109.804 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.0 t80 . . . . . 0 N--CA 1.451 -0.387 0 C-N-CA 122.271 0.228 . . . . 0.0 111.399 -178.757 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 tpt . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mt -140.85 156.39 46.14 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 174.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -136.88 145.23 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -144.6 166.8 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.954 0.901 . . . . 0.0 109.769 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.19 97.86 3.96 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 172.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -104.56 162.2 13.46 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.272 1.429 . . . . 0.0 109.188 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -120.25 169.69 10.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.859 1.209 . . . . 0.0 111.419 172.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.46 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 8.8 m -58.9 134.61 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.433 -173.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.25 -3.86 60.15 Favored Glycine 0 CA--C 1.527 0.813 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.46 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -104.86 -178.98 3.81 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.152 0.976 . . . . 0.0 110.887 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.3 m -143.18 173.42 11.6 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -171.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.418 ' HA ' ' HA ' ' C' ' 44' ' ' ARG . 37.4 mt -153.38 165.01 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 126.911 2.085 . . . . 0.0 106.932 -172.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -141.3 155.25 45.99 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 119.276 0.944 . . . . 0.0 112.415 -175.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.4 mt -139.58 151.6 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.88 -140.02 35.42 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -129.96 10.17 5.43 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -142.47 12.28 1.93 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.784 0.833 . . . . 0.0 111.694 -176.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.77 146.15 34.56 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-N 118.769 0.713 . . . . 0.0 109.987 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -139.93 155.02 47.36 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.4 mm -135.66 148.61 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -141.28 146.84 37.29 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -105.89 94.78 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 177.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.5 mt -66.44 -30.42 70.77 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -173.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.46 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 160.05 -172.86 36.63 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.559 -0.353 . . . . 0.0 113.043 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -132.19 163.12 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.863 0.363 . . . . 0.0 111.406 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.4 t -151.99 90.34 1.52 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.966 0.907 . . . . 0.0 108.997 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.41 -100.61 1.55 Allowed Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -113.25 -17.32 12.36 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -68.76 149.75 48.66 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.1 t -135.83 117.68 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -82.7 121.18 26.53 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.4 155.16 34.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -174.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.63 154.32 20.36 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.9 mt -140.99 142.99 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -140.32 107.24 5.41 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.12 156.94 40.27 Favored Pre-proline 0 N--CA 1.453 -0.313 0 C-N-CA 123.391 0.676 . . . . 0.0 110.093 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.49 158.78 51.08 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 123.577 2.852 . . . . 0.0 111.431 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -72.87 -0.86 14.68 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.831 0.348 . . . . 0.0 110.622 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.83 -7.44 45.35 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.172 0.989 . . . . 0.0 110.826 172.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -138.5 168.46 19.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 123.786 0.834 . . . . 0.0 108.869 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.11 159.83 17.0 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -175.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.4 p -159.73 129.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 123.533 0.733 . . . . 0.0 109.75 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -153.72 172.79 16.74 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 122.979 0.512 . . . . 0.0 110.036 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -71.3 159.35 34.75 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -60.0 -23.62 63.81 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.328 0.513 . . . . 0.0 110.394 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.42 -50.01 36.14 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.012 0.525 . . . . 0.0 111.125 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.14 -27.29 29.1 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.178 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 78.2 t80 . . . . . 0 N--CA 1.451 -0.418 0 C-N-CA 122.799 0.44 . . . . 0.0 111.892 -178.315 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.474 0.771 0 CA-C-O 119.537 -0.268 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mt -140.35 156.27 46.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 172.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -134.88 136.64 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -131.83 163.14 28.91 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.586 1.154 . . . . 0.0 109.701 -172.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -134.29 122.11 22.22 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 169.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -136.23 152.18 50.48 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.193 1.397 . . . . 0.0 108.068 -174.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -116.15 171.64 7.68 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 119.975 1.261 . . . . 0.0 111.145 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.451 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 11.1 m -60.31 129.19 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.349 -171.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.43 1.54 55.58 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.543 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -111.18 -178.58 3.5 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.076 0.938 . . . . 0.0 110.708 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 42.4 m -141.89 169.04 18.34 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -173.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.7 mm -141.52 165.95 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.893 2.077 . . . . 0.0 106.901 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -139.01 154.98 48.31 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 119.064 0.847 . . . . 0.0 112.685 -175.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -141.58 148.03 21.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 C-N-CA 124.435 1.094 . . . . 0.0 108.64 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.54 -140.16 29.8 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -129.22 10.57 5.82 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 123.811 0.844 . . . . 0.0 109.632 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -142.73 11.86 1.86 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.358 0.663 . . . . 0.0 111.621 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.49 146.24 34.49 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 118.742 0.701 . . . . 0.0 110.543 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 56.3 m -140.72 155.91 46.33 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.058 0.943 . . . . 0.0 108.831 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -134.52 145.54 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 9.5 m -138.96 151.15 46.64 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.412 HG13 ' HA ' ' C' ' 8' ' ' VAL . 0.9 OUTLIER -115.12 90.3 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.29 -25.48 67.65 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -172.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.451 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 159.8 -172.97 36.45 Favored Glycine 0 C--N 1.34 0.764 0 CA-C-N 118.066 0.394 . . . . 0.0 112.88 176.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.5 m -139.1 164.37 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 C-N-CA 122.97 0.508 . . . . 0.0 110.844 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -152.4 89.47 1.43 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.445 0.698 . . . . 0.0 109.258 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.06 -94.15 1.1 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -113.34 -16.36 12.5 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 173.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -67.13 148.36 51.95 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 67.5 t -141.36 109.9 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -83.57 121.42 27.2 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt -126.05 154.69 35.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -171.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.23 153.51 19.89 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.0 mt -140.75 139.59 34.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.25 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -138.15 105.62 5.55 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -174.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.55 156.74 45.38 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.671 0.789 . . . . 0.0 109.699 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.76 158.87 40.06 Favored 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 122.849 2.366 . . . . 0.0 110.9 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -69.26 -0.73 6.57 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.96 0.41 . . . . 0.0 110.082 172.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.02 -11.81 58.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.92 1.288 . . . . 0.0 110.788 173.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -137.74 167.06 23.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 C-N-CA 124.095 0.958 . . . . 0.0 109.28 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.77 160.13 15.71 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 122.298 -0.251 . . . . 0.0 110.842 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -158.08 131.63 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 174.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -155.58 173.59 16.48 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 29.8 ptt-85 -82.51 166.5 19.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 173.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -64.0 -9.61 16.89 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.956 0.503 . . . . 0.0 112.318 -176.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -78.64 -45.14 22.16 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.399 -0.813 . . . . 0.0 110.637 173.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -81.63 -29.02 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 O-C-N 122.332 -0.23 . . . . 0.0 110.939 -172.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 83.6 t80 . . . . . 0 N--CA 1.452 -0.369 0 O-C-N 122.251 -0.281 . . . . 0.0 110.903 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.409 ' C ' HD13 ' A' ' 3' ' ' ILE . 4.9 mt -136.05 152.76 51.23 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.409 HD13 ' C ' ' A' ' 2' ' ' LEU . 4.4 mp -135.43 147.75 28.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 177.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -145.8 165.78 27.84 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.803 0.841 . . . . 0.0 109.123 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -137.55 86.1 2.16 Favored 'General case' 0 C--O 1.23 0.054 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 175.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -99.85 162.94 12.68 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.077 1.351 . . . . 0.0 109.058 -173.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -121.26 171.79 8.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 120.146 1.339 . . . . 0.0 112.096 175.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.499 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 9.1 m -59.5 134.51 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.894 -172.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.39 -1.11 62.06 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.034 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -105.4 -178.9 3.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 117.596 0.698 . . . . 0.0 110.227 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.9 m -144.28 168.3 20.39 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -173.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.0 mt -144.81 166.0 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 126.11 1.764 . . . . 0.0 106.982 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -141.16 157.46 45.24 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-N 119.069 0.85 . . . . 0.0 112.44 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.1 mt -141.89 150.88 18.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 124.451 1.1 . . . . 0.0 108.875 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.5 -141.97 30.28 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -128.66 10.85 6.14 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.603 0.761 . . . . 0.0 109.728 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -141.69 12.6 2.09 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.77 0.828 . . . . 0.0 111.87 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.55 146.77 33.45 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 CA-C-N 119.127 0.876 . . . . 0.0 110.858 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.6 m -140.4 155.48 46.72 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.208 1.003 . . . . 0.0 108.867 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.1 mm -135.43 148.18 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 m -141.71 154.5 45.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.412 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.1 tp -119.68 90.25 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.8 mt -66.05 -27.62 68.23 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.977 -0.452 . . . . 0.0 111.858 -172.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.499 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 160.65 -174.63 37.35 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 121.116 -0.564 . . . . 0.0 113.446 178.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.13 163.11 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.974 0.416 . . . . 0.0 111.345 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.7 t -154.46 111.35 3.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.738 0.815 . . . . 0.0 108.824 173.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.1 -100.46 0.71 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -117.7 -16.83 10.01 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.021 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -71.43 148.32 47.01 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.8 t -134.15 116.61 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -85.13 121.94 28.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -126.45 155.35 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 O-C-N 123.977 0.798 . . . . 0.0 109.274 -172.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.86 153.05 18.24 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt -140.64 139.72 34.58 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -177.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -140.38 106.47 5.22 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.51 157.43 44.88 Favored Pre-proline 0 N--CA 1.451 -0.407 0 C-N-CA 123.485 0.714 . . . . 0.0 109.539 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.65 159.13 46.58 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 123.194 2.596 . . . . 0.0 110.827 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -69.85 -0.56 7.45 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.201 0.524 . . . . 0.0 110.129 173.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.69 -10.4 56.05 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.086 1.354 . . . . 0.0 111.055 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -139.16 168.65 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.55 0.74 . . . . 0.0 109.704 -178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.22 155.86 19.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.996 0.427 . . . . 0.0 111.326 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.98 127.14 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -153.62 171.73 18.34 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.8 mtm105 -71.96 161.22 31.25 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 173.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -62.27 -21.4 65.18 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -73.47 -34.08 65.17 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.995 0.918 . . . . 0.0 111.838 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.18 -28.03 5.05 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -178.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.5 t80 . . . . . 0 N--CA 1.453 -0.298 0 C-N-CA 122.637 0.375 . . . . 0.0 111.966 -177.615 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.6 tpt . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 119.044 -0.503 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 mt -140.99 137.34 32.94 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.516 0.598 . . . . 0.0 110.611 176.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -109.62 137.01 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 178.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -135.48 158.86 43.31 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.188 0.595 . . . . 0.0 110.788 -172.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m -134.31 134.05 41.41 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 168.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -142.6 161.84 37.02 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -125.08 166.66 15.99 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 119.194 0.906 . . . . 0.0 110.766 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.465 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.9 m -56.41 127.55 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.788 -170.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.23 -5.2 45.12 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 115.491 -0.777 . . . . 0.0 113.071 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -108.96 -178.9 3.7 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.182 0.991 . . . . 0.0 110.818 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 59.0 m -141.96 168.9 18.64 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -172.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 34.4 mm -139.14 164.96 24.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 126.987 2.115 . . . . 0.0 106.512 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -137.94 155.06 49.29 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.156 -0.965 . . . . 0.0 112.644 -176.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mt -140.91 148.01 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.093 0.957 . . . . 0.0 108.564 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.3 -140.82 35.5 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -129.08 10.33 5.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.698 0.799 . . . . 0.0 109.512 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -143.57 12.06 1.7 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.424 0.69 . . . . 0.0 111.594 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.84 145.36 35.82 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 118.902 0.774 . . . . 0.0 110.268 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 57.5 m -141.22 154.66 45.92 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.659 0.783 . . . . 0.0 108.949 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -134.68 143.74 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 40.0 m -139.14 146.3 40.46 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.416 HG13 ' HA ' ' C' ' 8' ' ' VAL . 0.9 OUTLIER -105.71 93.68 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.485 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -65.44 -27.51 68.57 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -173.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.465 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.08 -173.33 36.71 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-N 118.227 0.467 . . . . 0.0 112.677 177.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 m -137.74 163.01 31.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 CA-C-N 117.053 0.426 . . . . 0.0 111.095 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 64.9 m -150.53 89.76 1.59 Allowed 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 124.06 0.944 . . . . 0.0 108.773 176.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.03 -94.02 0.88 Allowed Glycine 0 C--N 1.339 0.698 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -113.88 -16.74 12.17 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 117.071 0.436 . . . . 0.0 109.841 173.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -68.96 150.4 47.75 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 73.4 t -140.49 112.7 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 105.976 -1.861 . . . . 0.0 105.976 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -83.58 127.61 33.87 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -133.74 154.74 39.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -171.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.16 154.05 20.12 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.0 mt -140.69 141.53 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -176.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -139.92 105.28 5.06 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.79 156.79 44.55 Favored Pre-proline 0 N--CA 1.452 -0.362 0 C-N-CA 123.385 0.674 . . . . 0.0 109.977 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.12 158.55 47.47 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 123.26 2.64 . . . . 0.0 110.94 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -72.39 -0.84 13.5 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.176 0.512 . . . . 0.0 110.582 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.76 -6.6 45.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.572 1.149 . . . . 0.0 110.984 174.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 20.7 m -137.46 168.6 20.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 123.284 0.634 . . . . 0.0 109.74 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.6 158.07 17.54 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.709 0.29 . . . . 0.0 111.567 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -157.93 127.75 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 173.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -154.36 174.52 14.73 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 123.54 0.736 . . . . 0.0 109.429 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -84.82 166.68 16.7 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 175.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -58.11 -22.71 52.04 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -172.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -73.5 -46.29 48.8 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 121.954 -0.467 . . . . 0.0 111.519 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.23 -25.53 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -176.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 78.6 t80 . . . . . 0 N--CA 1.45 -0.456 0 O-C-N 122.284 -0.26 . . . . 0.0 111.508 -178.176 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 tpt . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -139.53 152.12 46.67 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -137.3 138.44 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.07 165.66 24.47 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.614 0.766 . . . . 0.0 110.105 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -116.77 149.07 40.54 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -175.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.66 154.38 44.29 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 123.957 0.903 . . . . 0.0 109.854 -174.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -110.17 159.22 17.55 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.349 0.595 . . . . 0.0 110.486 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.429 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 18.4 m -59.32 136.3 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.721 -176.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.62 0.37 66.98 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.399 -0.667 . . . . 0.0 112.608 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -107.62 -178.51 3.65 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.197 0.998 . . . . 0.0 110.2 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.9 m -141.0 168.1 20.6 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -172.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.5 mt -142.34 162.51 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 126.11 1.764 . . . . 0.0 106.33 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -138.22 153.87 49.11 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 121.737 -0.602 . . . . 0.0 111.746 -173.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.0 mt -141.57 146.84 22.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.78 -141.08 29.09 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -129.48 10.92 5.74 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.382 0.673 . . . . 0.0 110.189 176.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -139.36 11.25 2.55 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.61 0.764 . . . . 0.0 111.925 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.27 144.57 37.75 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 CA-C-N 119.105 0.866 . . . . 0.0 110.939 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.5 m -141.33 156.8 45.8 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mm -134.05 144.7 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.541 1.137 . . . . 0.0 107.983 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -142.11 120.82 12.62 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -80.23 103.65 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.75 -29.91 65.02 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.836 -0.166 . . . . 0.0 111.329 -175.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.429 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.28 -171.92 35.24 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 117.775 0.261 . . . . 0.0 112.48 177.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 m -132.95 163.58 37.54 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 CA-C-O 121.036 0.446 . . . . 0.0 111.367 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 t -151.02 89.41 1.53 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.008 0.923 . . . . 0.0 108.605 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.5 -102.85 1.33 Allowed Glycine 0 C--N 1.339 0.725 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 -177.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -105.69 -20.15 13.55 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 117.38 0.59 . . . . 0.0 109.561 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -66.98 147.58 53.04 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.9 t -136.66 115.04 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.1 ttt-85 -89.49 126.95 35.78 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -137.74 155.1 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -170.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.76 157.18 18.15 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 176.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.4 mt -140.23 143.18 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -176.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -140.15 107.15 5.43 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.42 156.97 42.46 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 123.817 0.847 . . . . 0.0 109.332 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.78 158.23 51.86 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.271 2.648 . . . . 0.0 111.117 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -71.38 -4.08 24.3 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.244 0.217 . . . . 0.0 110.471 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -69.66 -6.75 33.56 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.33 1.052 . . . . 0.0 111.17 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m -136.88 168.74 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.92 157.09 21.08 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.676 0.275 . . . . 0.0 111.069 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -155.56 129.43 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 176.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -155.71 173.07 17.27 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 123.389 0.676 . . . . 0.0 109.893 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -74.83 159.87 31.38 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 173.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -57.75 -25.21 60.12 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 122.237 -0.289 . . . . 0.0 111.206 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -68.49 -39.07 81.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.368 0.667 . . . . 0.0 111.584 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -86.21 -27.26 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.1 t80 . . . . . 0 N--CA 1.453 -0.28 0 C-N-CA 122.725 0.41 . . . . 0.0 111.716 -178.914 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpt . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 mt -136.25 155.24 50.4 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.83 146.97 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.1 mt -146.71 165.66 28.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.123 0.969 . . . . 0.0 110.068 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -139.13 100.07 3.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 173.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.51 164.24 22.37 Favored 'General case' 0 C--O 1.227 -0.107 0 C-N-CA 122.43 0.292 . . . . 0.0 110.444 176.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -115.35 175.54 5.47 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 123.007 0.523 . . . . 0.0 111.492 -169.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.74 142.74 11.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.55 -9.06 75.09 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.504 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . 0.468 ' HG3' ' H ' ' C' ' 11' ' ' SER . 8.3 tp10 -85.7 179.72 7.02 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 117.705 0.752 . . . . 0.0 110.249 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' SER . . . . . 0.468 ' H ' ' HG3' ' C' ' 10' ' ' GLU . 67.9 m -148.05 164.29 34.29 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.272 0.629 . . . . 0.0 110.983 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 51.8 mt -143.29 164.13 15.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -138.38 155.6 48.37 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 121.36 -0.837 . . . . 0.0 112.651 -175.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 49.2 mt -141.55 148.26 21.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 C-N-CA 124.212 1.005 . . . . 0.0 108.668 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.36 -141.04 38.81 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -129.75 10.44 5.56 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.652 0.781 . . . . 0.0 109.482 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -143.12 11.28 1.76 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.453 0.701 . . . . 0.0 111.645 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.07 144.69 37.4 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 CA-C-N 118.984 0.811 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 49.1 m -140.24 154.58 46.91 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -130.43 144.38 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 41.0 m -142.37 146.87 35.4 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -105.87 103.32 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.07 -24.68 62.37 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.049 -0.661 . . . . 0.0 109.96 -177.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.48 -169.57 32.24 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 112.239 -0.344 . . . . 0.0 112.239 173.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 15.5 m -131.84 164.9 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 CA-C-O 121.16 0.505 . . . . 0.0 111.246 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.2 m -150.24 85.26 1.39 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -129.72 21.09 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -175.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -77.99 -13.29 59.93 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.05 0.425 . . . . 0.0 110.335 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.5 148.99 28.93 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 85.8 t -139.58 118.88 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 -175.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -95.33 126.57 40.73 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.3 155.35 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.249 -169.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.47 155.14 20.7 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -140.19 143.36 29.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -175.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -139.15 105.28 5.22 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -174.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.75 157.61 43.86 Favored Pre-proline 0 N--CA 1.45 -0.435 0 C-N-CA 123.908 0.883 . . . . 0.0 109.594 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' C' ' 39' ' ' ASP . 35.1 Cg_endo -62.98 158.09 45.24 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 123.194 2.596 . . . . 0.0 110.752 176.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -68.39 -0.68 5.18 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-O 121.223 0.535 . . . . 0.0 110.222 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' C' ' 37' ' ' PRO . 23.3 t70 -68.21 -11.78 59.86 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.219 1.408 . . . . 0.0 111.144 173.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 m -139.04 168.36 19.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 123.477 0.711 . . . . 0.0 110.032 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.33 158.64 16.72 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.921 -177.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -158.25 126.9 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -158.73 170.11 22.88 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 120.847 0.356 . . . . 0.0 111.429 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . 0.409 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 24.8 ttp-105 -68.68 153.11 44.38 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 169.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -13.68 32.32 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.588 0.631 . . . . 0.0 111.9 -177.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . 0.409 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 45.8 tt0 -70.94 -36.92 72.82 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.911 0.484 . . . . 0.0 110.566 177.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 mm -91.31 -25.23 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 78.3 t80 . . . . . 0 N--CA 1.452 -0.352 0 C-N-CA 123.05 0.54 . . . . 0.0 111.549 -179.702 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 tpt . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mt -136.84 156.12 48.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -134.42 145.26 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -143.54 165.84 26.46 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.998 0.919 . . . . 0.0 109.441 -177.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.33 96.41 3.72 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 173.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -98.64 163.09 12.79 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.429 1.491 . . . . 0.0 108.508 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -130.24 169.43 15.4 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 119.61 1.096 . . . . 0.0 110.619 171.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.442 ' HA ' HG13 ' A' ' 22' ' ' ILE . 7.7 m -58.45 133.06 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -169.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.68 -0.51 61.17 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.678 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -106.22 -179.12 3.85 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.244 1.022 . . . . 0.0 110.96 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.1 m -144.23 168.41 20.13 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -173.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.4 mt -141.21 165.71 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 125.853 1.661 . . . . 0.0 106.632 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -138.39 153.65 48.91 Favored 'General case' 0 C--O 1.228 -0.062 0 CA-C-N 118.695 0.68 . . . . 0.0 111.712 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.7 mt -140.5 147.32 23.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.16 -141.23 34.17 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -130.02 10.96 5.5 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.147 0.579 . . . . 0.0 110.206 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -139.66 12.18 2.5 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.785 0.834 . . . . 0.0 111.826 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.77 146.92 33.37 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-N 119.059 0.845 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.2 m -141.11 155.74 46.08 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.737 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.1 mm -135.34 146.33 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.5 m -142.65 146.59 34.62 Favored 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.442 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.2 tp -105.52 96.33 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.81 -27.04 66.39 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.595 -172.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.439 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 156.04 -170.82 33.82 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 112.008 -0.437 . . . . 0.0 112.008 176.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -133.33 161.21 41.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 CA-C-N 117.446 0.623 . . . . 0.0 112.069 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.2 m -150.04 89.47 1.6 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.165 1.386 . . . . 0.0 107.834 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.72 -137.3 28.58 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 -175.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -72.3 -18.29 61.8 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.856 0.828 . . . . 0.0 109.96 175.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.47 149.55 45.74 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -140.58 116.22 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -86.26 123.38 31.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -130.18 155.13 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -172.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.17 159.33 23.04 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.9 mt -139.97 142.36 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.404 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -139.97 105.83 5.17 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -176.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.03 157.26 43.44 Favored Pre-proline 0 N--CA 1.452 -0.375 0 C-N-CA 123.795 0.838 . . . . 0.0 109.46 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.64 158.78 48.36 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.181 2.587 . . . . 0.0 110.793 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -69.47 -0.8 7.07 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 121.474 0.654 . . . . 0.0 110.196 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -66.67 -10.75 49.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.945 1.298 . . . . 0.0 111.015 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -137.8 168.56 20.37 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 C-N-CA 123.48 0.712 . . . . 0.0 109.766 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.93 153.92 22.88 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.287 0.235 . . . . 0.0 111.012 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -156.11 124.58 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -152.51 168.89 24.06 Favored 'General case' 0 N--CA 1.458 -0.032 0 C-N-CA 122.789 0.436 . . . . 0.0 110.248 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 ttp85 -72.18 155.18 40.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -57.69 -23.75 53.24 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.521 0.201 . . . . 0.0 110.68 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -68.23 -50.53 53.39 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.179 0.592 . . . . 0.0 110.877 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.0 mm -74.75 -26.96 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 122.754 0.421 . . . . 0.0 110.838 -174.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.7 t80 . . . . . 0 N--CA 1.451 -0.396 0 C-N-CA 123.278 0.631 . . . . 0.0 111.773 -177.594 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 mt -139.97 152.24 46.15 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 176.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -136.87 139.69 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -131.59 162.41 30.4 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.744 1.218 . . . . 0.0 108.394 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -136.82 87.57 2.3 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 172.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.56 HH21 HG21 ' C' ' 22' ' ' ILE . 8.8 ttp180 -104.69 177.25 4.9 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 125.352 1.461 . . . . 0.0 109.946 -173.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -134.76 170.86 15.2 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 118.668 0.667 . . . . 0.0 111.959 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.455 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.2 m -56.07 134.08 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.921 -173.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.12 -11.93 63.81 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 115.556 -0.747 . . . . 0.0 113.021 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -88.89 179.29 6.22 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.291 1.045 . . . . 0.0 111.504 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -145.95 165.35 29.22 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 36.8 mm -141.99 167.56 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.928 1.691 . . . . 0.0 107.76 178.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -135.86 153.5 51.46 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-O 121.136 0.493 . . . . 0.0 111.922 -177.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.6 mt -138.96 147.48 24.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.93 -139.35 33.04 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -130.52 11.78 5.35 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.337 0.655 . . . . 0.0 110.292 176.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -140.18 11.15 2.37 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.869 0.867 . . . . 0.0 112.007 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.22 145.28 35.57 Favored 'Isoleucine or valine' 0 C--N 1.342 0.25 0 CA-C-N 118.942 0.792 . . . . 0.0 110.586 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 51.3 m -140.53 153.35 46.13 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.817 0.847 . . . . 0.0 108.828 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -133.66 144.89 34.55 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 38.6 m -140.19 147.01 39.47 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.56 HG21 HH21 ' C' ' 6' ' ' ARG . 2.4 tp -105.27 97.54 5.73 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.58 -27.32 65.95 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -173.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.455 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 157.07 -173.2 34.67 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 118.02 0.373 . . . . 0.0 112.481 175.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.5 m -135.11 163.36 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 117.157 0.478 . . . . 0.0 111.476 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 29.1 t -151.85 89.81 1.49 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.873 0.869 . . . . 0.0 109.269 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.15 -92.7 0.95 Allowed Glycine 0 C--N 1.338 0.645 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -113.43 -19.02 11.86 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 122.858 0.463 . . . . 0.0 109.99 173.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -68.97 147.28 51.86 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -138.01 106.53 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -82.48 125.63 31.31 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mt -128.89 155.34 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -171.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.42 154.27 19.92 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 57.1 mt -140.57 144.08 27.94 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -140.49 107.11 5.33 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.82 157.02 41.15 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 123.738 0.815 . . . . 0.0 109.969 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.12 158.08 53.89 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.152 2.568 . . . . 0.0 111.231 175.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -71.91 -1.73 15.41 Favored 'General case' 0 CA--C 1.524 -0.043 0 N-CA-C 110.48 -0.192 . . . . 0.0 110.48 175.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.12 -6.52 34.6 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.06 0.944 . . . . 0.0 111.028 173.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.59 168.65 19.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 123.882 0.873 . . . . 0.0 109.198 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . 0.4 ' HB1' ' HE2' ' C' ' 43' ' ' HIS . . . -111.53 155.91 22.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.154 -0.341 . . . . 0.0 111.078 -175.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -156.01 127.42 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 174.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . 0.4 ' HE2' ' HB1' ' C' ' 41' ' ' ALA . 7.9 m-70 -156.7 171.49 20.27 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 124.123 0.969 . . . . 0.0 108.952 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -82.52 166.03 19.64 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -57.33 -24.22 53.74 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -172.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -69.3 -47.18 65.25 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.869 0.366 . . . . 0.0 111.127 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm -77.62 -25.9 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.383 -172.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 80.0 t80 . . . . . 0 N--CA 1.452 -0.368 0 C-N-CA 122.528 0.331 . . . . 0.0 111.553 -179.228 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mt -138.39 151.18 47.25 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.79 146.77 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -146.84 166.24 27.28 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 123.877 0.871 . . . . 0.0 109.838 -175.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -130.84 96.26 4.03 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 172.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -104.31 162.02 13.56 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.33 1.052 . . . . 0.0 108.444 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -124.36 168.77 12.56 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 119.594 1.088 . . . . 0.0 111.058 175.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.437 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.2 m -57.05 135.23 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.533 -170.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.03 -3.01 66.63 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.616 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -102.53 -179.47 3.98 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 117.919 0.859 . . . . 0.0 110.426 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.7 m -142.69 168.24 20.18 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-O 121.553 0.692 . . . . 0.0 112.785 -173.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -144.01 165.57 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.899 1.68 . . . . 0.0 106.68 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -141.5 156.97 45.7 Favored 'General case' 0 N--CA 1.461 0.081 0 CA-C-N 118.979 0.809 . . . . 0.0 112.11 -175.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.1 mt -141.4 149.72 20.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 123.95 0.9 . . . . 0.0 108.911 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.62 -140.41 33.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -129.56 10.64 5.67 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.549 0.74 . . . . 0.0 110.305 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -141.36 11.5 2.13 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 123.897 0.879 . . . . 0.0 112.035 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -127.77 146.13 33.93 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 CA-C-N 119.419 1.008 . . . . 0.0 110.924 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.7 m -140.51 155.89 46.5 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.897 0.879 . . . . 0.0 108.87 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -136.35 147.72 27.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 C-N-CA 124.514 1.125 . . . . 0.0 108.113 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -142.64 146.33 34.38 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.422 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.2 tp -105.41 90.77 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mt -62.96 -29.48 70.84 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -172.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.437 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.55 -170.03 35.72 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-N 118.407 0.549 . . . . 0.0 112.238 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -135.33 160.91 40.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 117.112 0.456 . . . . 0.0 111.436 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -150.25 89.37 1.58 Allowed 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.23 -135.01 29.31 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -74.15 -19.14 60.66 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 117.893 0.846 . . . . 0.0 109.999 176.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.4 150.19 46.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.5 t -139.46 119.28 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -85.86 129.15 34.91 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -133.3 155.15 40.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -171.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.91 154.69 21.26 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.5 mt -140.31 142.87 30.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -140.46 107.02 5.31 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.5 157.63 44.61 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.78 0.832 . . . . 0.0 109.241 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.54 159.4 44.77 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.948 2.432 . . . . 0.0 111.108 175.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -70.68 -0.37 8.63 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-O 121.094 0.473 . . . . 0.0 110.014 172.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.45 -11.57 58.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.837 1.255 . . . . 0.0 110.758 173.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -138.98 168.62 18.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.203 1.001 . . . . 0.0 109.609 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.13 157.08 20.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 122.278 -0.264 . . . . 0.0 111.211 -176.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -155.88 127.6 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -155.03 173.51 16.47 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 122.906 0.482 . . . . 0.0 110.445 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -70.04 156.4 39.21 Favored 'General case' 0 N--CA 1.458 -0.061 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 174.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -58.23 -23.31 55.4 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.627 0.251 . . . . 0.0 110.786 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -68.6 -48.63 63.65 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.087 0.555 . . . . 0.0 110.663 178.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.4 mm -76.59 -25.64 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 CA-C-O 120.844 0.354 . . . . 0.0 110.371 -174.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.3 t80 . . . . . 0 N--CA 1.453 -0.279 0 C-N-CA 123.452 0.701 . . . . 0.0 111.535 -178.124 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.4 tpt . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 119.434 -0.317 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mt -136.92 153.33 50.75 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -138.29 146.15 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.3 mt -145.53 167.1 23.83 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.836 0.854 . . . . 0.0 109.639 -176.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -137.07 90.31 2.52 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -104.68 166.37 10.43 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 124.986 1.314 . . . . 0.0 109.591 -175.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -124.71 171.0 10.44 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 118.866 0.757 . . . . 0.0 111.589 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.477 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.4 m -56.51 132.43 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.372 -170.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.14 -15.11 55.11 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.206 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -86.01 177.72 7.49 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.153 0.977 . . . . 0.0 111.618 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -145.99 163.74 34.26 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.149 0.58 . . . . 0.0 111.347 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 40.6 mm -141.54 165.85 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 125.986 1.714 . . . . 0.0 107.069 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -137.92 154.63 49.41 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 118.982 0.81 . . . . 0.0 112.353 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 48.4 mt -141.09 148.28 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.049 0.94 . . . . 0.0 108.624 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.0 -140.68 38.39 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -129.99 10.59 5.47 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 123.758 0.823 . . . . 0.0 109.658 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -142.31 11.4 1.93 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.343 0.657 . . . . 0.0 111.762 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -128.72 147.25 33.19 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 CA-C-N 118.83 0.741 . . . . 0.0 110.585 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 35.6 m -141.03 157.26 45.56 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -135.05 148.05 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 27.4 m -143.81 145.2 32.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.422 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.3 tp -106.06 95.68 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.9 -28.53 66.76 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.199 -0.313 . . . . 0.0 111.519 -172.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.477 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.75 -173.6 37.28 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 117.918 0.326 . . . . 0.0 112.793 178.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -133.66 161.46 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-O 121.17 0.51 . . . . 0.0 111.58 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -150.2 89.26 1.57 Allowed 'General case' 0 C--O 1.231 0.082 0 C-N-CA 124.692 1.197 . . . . 0.0 108.491 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.33 -102.97 1.24 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -106.68 -19.14 13.75 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 117.198 0.499 . . . . 0.0 109.702 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -69.54 146.99 51.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -136.17 117.73 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -79.3 117.94 20.77 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 176.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -124.9 153.26 31.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -176.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.44 156.44 21.84 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.8 mt -140.79 139.09 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -135.2 98.63 4.03 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.32 0.581 . . . . 0.0 109.805 -173.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.37 153.98 59.89 Favored Pre-proline 0 N--CA 1.448 -0.566 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.761 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.51 152.18 78.9 Favored 'Trans proline' 0 N--CA 1.443 -1.466 0 C-N-CA 122.213 1.942 . . . . 0.0 110.049 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -7.01 9.42 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 121.217 0.532 . . . . 0.0 110.995 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.69 -9.34 19.17 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.702 1.601 . . . . 0.0 112.04 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -133.81 167.56 26.02 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.19 153.6 20.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.558 -174.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -158.84 129.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 123.173 0.589 . . . . 0.0 109.5 174.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -155.37 173.14 17.08 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.39 0.676 . . . . 0.0 109.548 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -76.62 166.73 22.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -59.57 -25.12 64.31 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -174.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -66.67 -52.84 40.32 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 120.878 0.371 . . . . 0.0 110.669 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.3 mm -73.02 -30.18 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.556 -173.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.9 t80 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.179 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.507 -0.282 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 mt -140.53 151.44 44.76 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.674 0.389 . . . . 0.0 110.103 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.64 145.41 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -146.69 165.79 28.53 Favored 'General case' 0 C--O 1.23 0.075 0 C-N-CA 123.81 0.844 . . . . 0.0 110.449 -173.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.94 96.62 3.96 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-O 121.656 0.741 . . . . 0.0 109.579 173.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -99.22 163.04 12.72 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.168 1.787 . . . . 0.0 108.747 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -127.54 168.81 14.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.895 1.225 . . . . 0.0 110.568 171.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.463 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 8.3 m -57.61 133.66 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 121.491 0.662 . . . . 0.0 111.999 -170.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.88 -1.06 63.04 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.581 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -105.98 179.4 4.28 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 117.944 0.872 . . . . 0.0 110.341 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.1 m -142.75 168.53 19.49 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -172.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.7 mt -142.79 165.69 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.035 1.734 . . . . 0.0 106.788 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -139.85 155.24 47.33 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 119.393 0.997 . . . . 0.0 112.082 -175.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.4 mt -140.31 148.11 22.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 123.969 0.907 . . . . 0.0 108.943 177.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.71 -138.97 32.8 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -129.71 10.26 5.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.11 0.564 . . . . 0.0 109.884 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -140.83 10.99 2.23 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 123.367 0.667 . . . . 0.0 111.67 -177.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -129.32 145.56 35.56 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 CA-C-N 118.993 0.815 . . . . 0.0 110.418 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.4 m -140.76 156.45 46.18 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.6 mm -134.76 148.8 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.4 m -144.01 147.24 33.61 Favored 'General case' 0 N--CA 1.457 -0.086 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.431 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.1 tp -107.19 92.26 2.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.3 -26.46 68.07 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -173.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.69 -173.16 36.38 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 118.15 0.432 . . . . 0.0 112.856 175.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -137.38 162.1 33.58 Favored 'Isoleucine or valine' 0 C--N 1.34 0.164 0 C-N-CA 122.696 0.398 . . . . 0.0 110.966 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -150.47 89.57 1.58 Allowed 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.887 0.875 . . . . 0.0 108.658 176.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.49 -102.47 1.5 Allowed Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 -177.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -105.42 -15.94 14.88 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 117.339 0.57 . . . . 0.0 109.68 174.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -69.28 147.31 51.37 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -141.21 109.54 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -85.16 124.39 31.77 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -128.61 155.42 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -171.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.24 155.5 20.39 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 109.791 -1.323 . . . . 0.0 109.791 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.1 mt -140.39 131.43 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -130.45 99.38 4.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.284 0.564 . . . . 0.0 110.052 -173.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.34 154.78 64.37 Favored Pre-proline 0 N--CA 1.448 -0.572 0 C-N-CA 124.143 0.977 . . . . 0.0 108.562 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.473 ' C ' ' H ' ' A' ' 39' ' ' ASP . 21.8 Cg_endo -60.08 154.96 47.72 Favored 'Trans proline' 0 N--CA 1.443 -1.457 0 C-N-CA 122.13 1.887 . . . . 0.0 109.985 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.85 -3.11 2.19 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.039 0.447 . . . . 0.0 109.903 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.473 ' H ' ' C ' ' A' ' 37' ' ' PRO . 19.1 t70 -70.09 -13.58 62.27 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.984 2.114 . . . . 0.0 112.48 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.57 167.51 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.113 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.9 150.84 22.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.676 0.274 . . . . 0.0 110.963 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.47 128.6 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 174.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -153.98 173.15 16.37 Favored 'General case' 0 CA--C 1.527 0.081 0 C-N-CA 122.927 0.491 . . . . 0.0 109.906 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.2 mtm105 -75.14 162.8 28.19 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.68 -23.5 64.89 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.317 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -71.84 -34.5 69.33 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.723 0.409 . . . . 0.0 111.463 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -91.31 -30.22 4.79 Favored 'Isoleucine or valine' 0 C--N 1.337 0.057 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -176.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.4 t80 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -177.213 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mt -140.35 156.06 46.56 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -137.27 147.59 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -145.26 165.61 27.91 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.919 0.888 . . . . 0.0 110.087 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.38 96.63 3.3 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.36 178.64 4.5 Favored 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 123.894 0.878 . . . . 0.0 109.325 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -128.67 172.42 11.25 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.877 0.308 . . . . 0.0 110.975 172.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.413 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 16.9 m -57.6 131.16 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 121.232 0.539 . . . . 0.0 112.114 -172.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.24 -7.88 58.67 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.329 175.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -92.05 -179.98 5.42 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 117.926 0.863 . . . . 0.0 110.705 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -142.39 166.14 25.49 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -173.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 50.3 mt -144.42 166.95 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 125.736 1.614 . . . . 0.0 107.004 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -141.61 156.07 45.69 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.118 0.872 . . . . 0.0 112.641 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 43.7 mt -143.36 149.15 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 124.248 1.019 . . . . 0.0 108.861 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.58 -141.26 35.71 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -129.13 10.16 5.8 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.622 0.769 . . . . 0.0 109.912 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -142.45 10.38 1.86 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.316 0.646 . . . . 0.0 111.485 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.29 145.93 34.6 Favored 'Isoleucine or valine' 0 C--N 1.341 0.225 0 CA-C-N 118.639 0.654 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -140.13 157.04 46.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.9 mm -135.18 148.69 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 10.9 m -142.61 153.78 43.79 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.73 94.9 3.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.47 -29.84 69.39 Favored 'General case' 0 C--N 1.341 0.227 0 O-C-N 121.716 -0.615 . . . . 0.0 112.601 -169.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.413 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 162.66 -172.1 38.64 Favored Glycine 0 C--N 1.34 0.77 0 CA-C-N 118.652 0.66 . . . . 0.0 112.489 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 m -133.77 162.05 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.223 0.535 . . . . 0.0 111.67 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 51.8 p -150.78 89.9 1.58 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.41 -126.66 11.5 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -175.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -84.06 -17.22 41.04 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 117.641 0.721 . . . . 0.0 109.528 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.9 147.26 48.96 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 74.5 t -137.79 115.92 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -85.76 125.42 33.22 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.2 mt -127.72 154.86 38.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -171.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.77 154.25 19.63 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 109.784 -1.326 . . . . 0.0 109.784 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 77.8 mt -140.36 138.28 36.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -135.24 98.79 4.07 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.097 0.475 . . . . 0.0 109.953 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.93 153.49 57.31 Favored Pre-proline 0 N--CA 1.448 -0.536 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.346 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.12 153.03 72.19 Favored 'Trans proline' 0 N--CA 1.445 -1.346 0 C-N-CA 122.657 2.238 . . . . 0.0 110.239 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -64.44 -8.26 12.88 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 121.21 0.528 . . . . 0.0 110.531 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.65 -9.33 18.9 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.573 1.549 . . . . 0.0 112.265 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -134.08 167.7 25.59 Favored 'Isoleucine or valine' 0 C--N 1.34 0.157 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.43 154.15 18.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -176.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -160.48 128.62 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.103 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 172.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -154.81 172.23 18.33 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 122.925 0.49 . . . . 0.0 109.801 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -73.11 161.8 30.19 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -60.83 -23.24 64.95 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.653 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -68.88 -47.91 64.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.549 0.34 . . . . 0.0 110.849 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 17.0 mm -77.03 -24.78 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-O 120.723 0.296 . . . . 0.0 110.48 -174.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 t80 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 122.565 0.346 . . . . 0.0 111.717 -179.265 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.402 ' C ' HD13 ' A' ' 3' ' ' ILE . 4.5 mt -140.19 152.31 45.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.402 HD13 ' C ' ' A' ' 2' ' ' LEU . 4.4 mp -133.81 146.21 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -147.17 169.62 18.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.787 0.835 . . . . 0.0 109.877 -175.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -135.54 98.39 3.93 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 171.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.41 162.6 13.09 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.032 1.333 . . . . 0.0 108.854 -177.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -125.11 169.27 12.35 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 119.805 1.184 . . . . 0.0 111.572 174.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.459 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.2 m -59.39 135.4 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.02 -170.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.14 0.77 65.42 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.208 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -105.97 -179.57 3.98 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.836 0.818 . . . . 0.0 110.294 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -145.38 173.54 11.91 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -172.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.3 mt -152.36 158.16 4.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 127.211 2.204 . . . . 0.0 106.393 -173.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -136.15 157.81 45.91 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 118.731 0.696 . . . . 0.0 111.719 -175.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.9 mt -140.02 144.23 28.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 124.539 1.136 . . . . 0.0 108.792 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.05 -136.84 37.89 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.284 -1.127 . . . . 0.0 110.284 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -130.13 10.14 5.35 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.087 0.555 . . . . 0.0 110.262 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -141.88 10.93 2.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.115 0.566 . . . . 0.0 112.32 -176.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.08 146.45 34.08 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 CA-C-N 119.009 0.822 . . . . 0.0 110.446 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.3 m -138.63 156.02 47.8 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.761 0.824 . . . . 0.0 109.193 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -136.51 145.89 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.654 1.182 . . . . 0.0 108.112 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.5 m -142.72 147.1 35.07 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.556 0.217 . . . . 0.0 110.416 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.423 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 tp -105.91 92.72 2.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.41 -33.34 75.32 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.14 -0.35 . . . . 0.0 111.051 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.459 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.88 -171.38 38.66 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.636 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 m -133.58 160.59 42.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 CA-C-O 120.818 0.342 . . . . 0.0 111.428 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.7 p -150.69 89.41 1.55 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.98 -121.57 9.36 Favored Glycine 0 C--N 1.338 0.686 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -175.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -88.36 -19.03 27.18 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 117.707 0.754 . . . . 0.0 109.713 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.69 146.11 51.83 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.6 t -137.54 118.25 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -79.92 119.46 22.81 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -126.46 152.98 34.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.22 156.35 22.34 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.7 mt -140.3 144.24 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -175.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -140.89 108.06 5.48 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.53 158.01 38.27 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 123.609 0.764 . . . . 0.0 109.792 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.68 158.33 50.97 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 123.274 2.649 . . . . 0.0 110.738 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -69.06 -0.82 6.28 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-O 121.228 0.537 . . . . 0.0 110.205 173.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.78 -10.27 45.75 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.803 1.241 . . . . 0.0 110.938 173.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -138.66 167.91 20.33 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 C-N-CA 123.8 0.84 . . . . 0.0 109.399 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.15 153.61 22.91 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.685 0.279 . . . . 0.0 110.641 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.17 129.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -155.59 170.49 21.87 Favored 'General case' 0 C--N 1.335 -0.046 0 C-N-CA 123.623 0.769 . . . . 0.0 109.433 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -77.05 164.59 25.58 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 173.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -59.15 -20.67 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -70.84 -48.3 54.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.024 -0.423 . . . . 0.0 111.223 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.4 mm -77.78 -24.92 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.094 0 CA-C-O 120.629 0.252 . . . . 0.0 110.341 -173.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 84.3 t80 . . . . . 0 N--CA 1.454 -0.233 0 C-N-CA 123.108 0.563 . . . . 0.0 112.067 -177.787 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.4 tpt . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mt -137.71 154.23 49.67 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -136.36 147.4 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -144.6 165.3 28.41 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.079 0.952 . . . . 0.0 109.335 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.65 95.94 4.12 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 172.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -101.59 162.47 12.88 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.848 1.259 . . . . 0.0 108.183 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -128.46 167.45 17.04 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 119.19 0.904 . . . . 0.0 110.951 174.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.442 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.5 m -55.4 130.54 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.307 -170.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.85 -2.2 56.89 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.659 176.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -107.95 -179.29 3.85 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.174 0.987 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 32.5 m -142.24 168.78 18.92 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 73.6 mt -140.93 163.72 21.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 126.758 2.023 . . . . 0.0 106.508 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -138.93 154.09 48.31 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 119.053 0.842 . . . . 0.0 112.099 -175.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mt -141.44 147.65 21.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 123.83 0.852 . . . . 0.0 108.892 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.0 -139.34 33.34 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -130.21 10.76 5.39 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.222 0.609 . . . . 0.0 110.052 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -141.37 11.01 2.11 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.317 0.647 . . . . 0.0 111.555 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.7 144.43 38.09 Favored 'Isoleucine or valine' 0 C--N 1.343 0.288 0 CA-C-N 118.844 0.747 . . . . 0.0 110.914 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 52.9 m -141.05 155.43 46.16 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.469 1.108 . . . . 0.0 108.063 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -133.55 147.77 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 10.0 m -140.79 145.67 36.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.862 0.363 . . . . 0.0 110.24 -176.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.417 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.2 tp -106.14 92.3 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.09 -26.2 66.6 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -171.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.442 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 159.57 -172.07 36.11 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 118.118 0.417 . . . . 0.0 112.309 177.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -133.14 160.36 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.087 0 CA-C-N 117.281 0.541 . . . . 0.0 111.403 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.5 t -150.9 89.43 1.54 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.63 -132.84 29.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 109.374 -1.491 . . . . 0.0 109.374 -174.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -77.12 -20.61 55.41 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 117.642 0.721 . . . . 0.0 109.332 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.67 147.13 51.01 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 176.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 89.7 t -137.27 123.23 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -85.75 127.77 34.62 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 mt -134.97 154.9 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -170.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.48 157.35 22.02 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.9 mt -139.95 135.0 37.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -134.44 98.26 4.04 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.246 0.546 . . . . 0.0 109.838 -174.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.26 155.21 50.39 Favored Pre-proline 0 N--CA 1.447 -0.6 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.433 ' C ' ' H ' ' C' ' 39' ' ' ASP . 26.4 Cg_endo -61.73 154.13 62.74 Favored 'Trans proline' 0 N--CA 1.443 -1.492 0 C-N-CA 121.958 1.772 . . . . 0.0 109.333 176.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -63.64 -6.03 4.84 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 121.626 0.727 . . . . 0.0 110.057 175.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' C' ' 37' ' ' PRO . 16.0 t70 -63.23 -10.78 17.12 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 126.119 1.768 . . . . 0.0 112.041 175.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 m -134.15 158.43 42.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.73 142.96 29.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.492 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 4.7 m -147.63 135.13 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 172.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -155.12 165.13 37.66 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -67.16 157.68 33.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 172.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -64.24 -8.92 14.23 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.7 -48.75 53.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.929 -0.482 . . . . 0.0 110.714 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.3 mm -78.51 -24.86 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-O 120.649 0.262 . . . . 0.0 110.544 -173.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 79.9 t80 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 -179.875 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.415 -0.326 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mt -137.98 153.58 49.43 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -136.17 145.83 30.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -146.46 166.58 25.97 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.013 0.925 . . . . 0.0 109.357 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m -134.64 94.44 3.19 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -104.38 162.61 13.07 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.9 1.28 . . . . 0.0 108.722 -175.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -124.23 169.27 11.91 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 119.812 1.187 . . . . 0.0 111.781 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.474 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 6.2 m -58.73 131.77 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.968 -170.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.14 -1.79 57.71 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.106 177.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -104.22 179.6 4.22 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.592 0.696 . . . . 0.0 110.162 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.6 m -143.16 168.26 20.17 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -173.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.0 mt -143.16 164.94 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -139.47 155.33 47.64 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.828 0.74 . . . . 0.0 111.823 -176.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.9 mt -141.92 149.01 20.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.02 -140.27 35.45 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -129.24 10.29 5.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.652 0.781 . . . . 0.0 109.663 177.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -144.27 11.94 1.54 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.53 0.732 . . . . 0.0 111.7 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.63 146.78 33.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 CA-C-N 118.951 0.796 . . . . 0.0 110.509 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.7 m -141.08 155.4 46.15 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 mm -135.03 147.86 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -142.97 145.5 33.04 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.431 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.0 OUTLIER -105.8 91.89 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.2 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.28 -27.85 68.25 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -172.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.474 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.97 -173.42 36.64 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 118.181 0.446 . . . . 0.0 113.01 178.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -135.98 161.91 37.25 Favored 'Isoleucine or valine' 0 C--N 1.339 0.149 0 CA-C-O 120.805 0.336 . . . . 0.0 111.456 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -150.07 89.46 1.6 Allowed 'General case' 0 CA--C 1.523 -0.088 0 C-N-CA 124.178 0.991 . . . . 0.0 108.732 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.85 -102.54 1.33 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -106.8 -18.07 14.04 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -70.29 150.6 46.21 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -138.61 118.34 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -88.21 124.16 33.57 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -130.09 154.56 40.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -170.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.49 156.77 22.02 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -140.58 145.43 25.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -176.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -140.8 107.24 5.28 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.13 156.76 43.45 Favored Pre-proline 0 N--CA 1.454 -0.226 0 C-N-CA 123.097 0.559 . . . . 0.0 110.384 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.87 157.06 58.64 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 123.445 2.763 . . . . 0.0 111.061 175.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.8 mmmm -72.61 -0.78 13.84 Favored 'General case' 0 N--CA 1.46 0.055 0 CA-C-O 120.764 0.316 . . . . 0.0 110.751 175.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.24 -8.16 47.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.97 0.908 . . . . 0.0 110.389 171.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m -139.23 169.1 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.322 1.049 . . . . 0.0 109.041 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.22 162.54 18.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.114 -0.367 . . . . 0.0 111.186 -174.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 p -156.9 127.11 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 123.47 0.708 . . . . 0.0 109.356 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -154.68 173.33 16.54 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 122.629 0.372 . . . . 0.0 110.785 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -72.11 155.87 39.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 169.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -19.6 17.38 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -178.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -63.94 -48.73 75.37 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.434 0.561 . . . . 0.0 110.146 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.0 mm -77.67 -26.93 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.208 -174.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.5 t80 . . . . . 0 N--CA 1.452 -0.344 0 C-N-CA 122.848 0.459 . . . . 0.0 111.279 -177.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 119.429 -0.319 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' C' ' 2' ' ' LEU . 0.8 OUTLIER -138.3 155.95 48.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 175.508 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -135.28 148.57 28.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 85.5 mt -146.65 171.07 15.68 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.05 0.94 . . . . 0.0 110.023 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -139.56 106.23 5.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.102 0.477 . . . . 0.0 110.29 170.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.72 177.73 4.76 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.531 1.133 . . . . 0.0 109.367 176.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -132.7 170.44 15.23 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 110.455 169.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.449 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 10.6 m -57.3 133.9 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-O 121.059 0.457 . . . . 0.0 112.05 -172.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.93 -2.39 59.99 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.285 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -104.55 -178.62 3.71 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.824 0.812 . . . . 0.0 111.539 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 12.5 p -147.07 169.45 19.23 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -176.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 mm -139.81 164.47 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 127.245 2.218 . . . . 0.0 106.851 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -136.58 153.63 50.91 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.789 -0.569 . . . . 0.0 111.485 -174.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 39.3 mt -142.62 147.4 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.61 0.764 . . . . 0.0 109.139 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.17 -139.27 41.49 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -129.91 10.07 5.44 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.313 0.645 . . . . 0.0 110.108 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -143.97 11.42 1.59 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.555 0.742 . . . . 0.0 111.967 -177.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.29 144.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 CA-C-N 119.013 0.824 . . . . 0.0 110.487 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 88.8 m -141.26 155.68 45.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.961 0.904 . . . . 0.0 108.864 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.5 mm -133.68 145.41 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.0 m -139.42 145.51 38.98 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.434 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.4 tp -105.9 95.18 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.25 -29.03 69.19 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -173.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.449 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.66 -171.25 35.35 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.7 m -133.26 161.82 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-O 121.374 0.606 . . . . 0.0 111.504 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 34.4 t -151.17 89.68 1.54 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.01 -132.07 25.84 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 108.961 -1.656 . . . . 0.0 108.961 -174.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -79.12 -17.45 55.07 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 117.729 0.765 . . . . 0.0 109.755 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.65 146.38 50.02 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -137.5 118.87 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 106.077 -1.824 . . . . 0.0 106.077 -177.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -87.47 126.12 34.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -131.17 155.35 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -170.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.75 155.85 21.4 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.37 143.02 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -140.15 105.94 5.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.79 156.89 41.24 Favored Pre-proline 0 N--CA 1.451 -0.419 0 C-N-CA 123.782 0.833 . . . . 0.0 109.527 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.48 159.19 45.57 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.276 2.651 . . . . 0.0 110.761 175.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -70.27 -0.53 8.18 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-O 121.177 0.513 . . . . 0.0 110.434 172.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -67.02 -11.56 57.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.899 1.279 . . . . 0.0 110.655 173.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 m -138.85 168.09 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.958 0.903 . . . . 0.0 109.769 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.81 157.96 17.35 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.614 0.245 . . . . 0.0 110.769 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -157.52 128.81 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.23 0.066 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 173.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -155.18 171.05 20.44 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.474 0.71 . . . . 0.0 109.617 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -75.69 165.27 25.31 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 173.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -59.98 -20.92 60.24 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -175.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -70.13 -49.62 48.78 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 122.075 -0.391 . . . . 0.0 111.472 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 18.4 mm -76.77 -25.54 15.92 Favored 'Isoleucine or valine' 0 C--N 1.337 0.063 0 CA-C-O 120.961 0.41 . . . . 0.0 110.696 -173.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 87.1 t80 . . . . . 0 N--CA 1.451 -0.398 0 C-N-CA 122.703 0.401 . . . . 0.0 111.326 -178.06 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 tpt . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mt -137.64 151.58 48.44 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.71 144.45 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.9 mt -147.84 166.05 28.74 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 123.812 0.845 . . . . 0.0 109.797 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -133.83 96.39 3.66 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-O 121.201 0.524 . . . . 0.0 109.957 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.01 179.45 5.44 Favored 'General case' 0 C--N 1.335 -0.064 0 C-N-CA 125.013 1.325 . . . . 0.0 109.218 177.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -136.08 172.32 13.19 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 168.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.429 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 11.7 m -59.72 135.09 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-O 121.078 0.466 . . . . 0.0 111.834 -172.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.64 -1.28 61.67 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.301 178.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -102.08 -179.67 4.06 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 117.968 0.884 . . . . 0.0 110.878 -178.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 m -144.7 168.79 19.34 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -173.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.8 mm -142.87 164.4 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 126.014 1.726 . . . . 0.0 106.887 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -138.57 153.88 48.7 Favored 'General case' 0 C--O 1.23 0.078 0 O-C-N 121.422 -0.799 . . . . 0.0 111.564 -176.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.9 mt -141.07 146.83 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.0 -138.06 35.64 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -130.11 10.56 5.41 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.096 0.558 . . . . 0.0 109.744 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -142.42 11.83 1.92 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.609 0.764 . . . . 0.0 111.784 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.98 143.94 39.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 CA-C-N 118.707 0.685 . . . . 0.0 110.272 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 m -141.18 155.85 46.01 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.3 mm -135.37 148.43 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -178.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.4 m -142.32 146.85 35.47 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.412 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 tp -105.57 93.56 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 mt -63.4 -30.92 71.97 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -174.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.429 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.17 -170.17 34.9 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.1 m -128.93 161.51 38.03 Favored 'Isoleucine or valine' 0 C--O 1.23 0.062 0 CA-C-O 121.242 0.544 . . . . 0.0 111.165 178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -150.21 89.3 1.57 Allowed 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.86 -139.97 35.62 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -173.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -71.33 -15.84 62.42 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 117.826 0.813 . . . . 0.0 110.064 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.44 149.79 38.45 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.5 t -135.19 124.25 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -177.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.1 ttm105 -94.02 125.05 38.42 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -132.23 155.35 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.619 -168.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.83 156.47 21.44 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.3 mt -140.62 142.24 30.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -176.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -140.14 106.27 5.23 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.11 156.01 43.5 Favored Pre-proline 0 N--CA 1.453 -0.286 0 C-N-CA 123.738 0.815 . . . . 0.0 109.92 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.7 159.0 47.41 Favored 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 123.202 2.602 . . . . 0.0 111.129 176.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -72.41 -0.85 13.6 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 122.674 0.39 . . . . 0.0 110.443 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -72.39 -6.26 42.21 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 124.263 1.025 . . . . 0.0 110.814 173.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m -138.03 168.77 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.612 0.765 . . . . 0.0 109.478 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.74 155.81 21.95 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.871 0.367 . . . . 0.0 111.348 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.24 128.64 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -154.4 172.74 17.24 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.343 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -69.55 154.13 42.45 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -58.72 -22.57 57.89 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.549 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -67.97 -46.41 71.46 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.462 0.705 . . . . 0.0 111.144 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.5 mm -78.09 -28.51 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 122.253 0.221 . . . . 0.0 110.488 -174.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.6 t80 . . . . . 0 N--CA 1.452 -0.336 0 C-N-CA 123.155 0.582 . . . . 0.0 111.614 -177.366 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.2 tpt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.417 -0.325 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mt -134.89 154.03 51.83 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.297 0.499 . . . . 0.0 110.014 176.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.47 148.72 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 76.2 mt -145.86 165.27 29.4 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.824 0.849 . . . . 0.0 110.542 -173.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.61 96.26 2.95 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -106.81 168.9 8.87 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 124.498 1.119 . . . . 0.0 111.207 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -110.58 166.0 11.35 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -64.68 135.82 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 120.034 -0.667 . . . . 0.0 110.345 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.48 5.91 64.74 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.527 -0.596 . . . . 0.0 112.196 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -109.83 178.27 4.47 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.095 0.948 . . . . 0.0 111.034 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.5 m -143.61 168.11 20.66 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -171.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 39.8 mm -144.06 163.26 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 127.059 2.143 . . . . 0.0 107.089 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -135.15 155.92 49.87 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 118.732 0.696 . . . . 0.0 112.318 -176.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 43.2 mt -142.97 146.81 21.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.638 1.175 . . . . 0.0 109.115 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.8 -140.86 33.53 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 -178.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -130.19 10.5 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.455 0.702 . . . . 0.0 110.421 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -141.09 11.92 2.2 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.703 0.801 . . . . 0.0 111.947 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -128.81 144.16 38.94 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 CA-C-N 118.971 0.805 . . . . 0.0 111.029 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 42.7 m -140.7 156.14 46.29 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -133.32 145.75 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 53.3 m -142.24 146.06 34.75 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -105.46 99.21 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -67.61 -28.27 67.6 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -174.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.41 -172.84 34.23 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-N 117.944 0.338 . . . . 0.0 112.543 175.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -134.17 161.33 40.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.888 0.344 . . . . 0.0 111.366 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -150.34 89.74 1.6 Allowed 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.6 -102.29 1.49 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 109.786 -1.325 . . . . 0.0 109.786 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -107.06 -19.08 13.73 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 117.27 0.535 . . . . 0.0 109.73 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -68.1 149.72 49.28 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -139.66 110.28 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -84.47 124.65 31.59 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mt -127.05 155.04 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -171.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.07 154.51 19.87 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 177.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.9 mt -140.33 136.96 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -133.33 98.56 4.27 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 121.292 0.567 . . . . 0.0 110.037 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.86 153.22 57.22 Favored Pre-proline 0 N--CA 1.449 -0.479 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.058 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.9 152.77 77.21 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 122.28 1.987 . . . . 0.0 109.823 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -7.39 12.11 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-O 121.587 0.708 . . . . 0.0 111.017 177.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.46 -9.57 19.43 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.528 1.531 . . . . 0.0 112.193 174.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.38 167.94 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.68 155.12 18.52 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.813 -175.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -160.37 131.12 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 172.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -155.45 170.94 20.78 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.04 0.536 . . . . 0.0 110.427 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -73.06 157.48 37.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 170.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -21.76 63.87 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.812 -0.755 . . . . 0.0 111.337 177.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.49 -28.53 69.26 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 122.192 -0.318 . . . . 0.0 110.362 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 14.4 mm -99.46 -31.84 3.58 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.101 0 C-N-CA 122.609 0.364 . . . . 0.0 110.111 -176.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 75.5 t80 . . . . . 0 N--CA 1.454 -0.264 0 C-N-CA 122.346 0.259 . . . . 0.0 111.178 -178.603 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 tpt . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 119.5 -0.286 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mt -140.54 153.62 46.22 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 122.858 0.463 . . . . 0.0 110.132 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -137.48 147.14 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.6 mt -144.25 167.27 22.82 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.263 1.025 . . . . 0.0 109.549 -176.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -134.14 99.28 4.36 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.52 177.71 4.76 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -133.47 169.4 17.02 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 172.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.442 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.9 m -57.45 132.96 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-O 121.257 0.551 . . . . 0.0 111.977 -172.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.43 -12.11 59.89 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.659 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -87.84 -178.62 6.08 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 117.84 0.82 . . . . 0.0 111.331 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -145.45 167.63 22.49 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.341 0.591 . . . . 0.0 111.654 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -141.08 164.47 20.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 125.503 1.521 . . . . 0.0 106.936 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -138.66 153.7 48.59 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 118.833 0.742 . . . . 0.0 111.883 -176.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.6 mt -141.26 148.22 21.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.85 -141.08 33.28 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -130.21 10.73 5.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.193 0.597 . . . . 0.0 110.4 175.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -138.39 11.21 2.76 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.126 0.97 . . . . 0.0 111.625 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.67 144.68 37.26 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-N 119.154 0.888 . . . . 0.0 110.941 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.7 m -140.15 155.75 46.84 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.2 mm -134.3 149.12 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.6 m -140.66 146.47 37.91 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.407 HG13 ' HA ' ' A' ' 8' ' ' VAL . 2.0 tp -105.5 95.88 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.91 -28.79 68.59 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.151 -0.343 . . . . 0.0 111.481 -175.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.442 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.33 -171.06 35.13 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-N 118.082 0.401 . . . . 0.0 112.902 176.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -136.33 163.58 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 117.097 0.448 . . . . 0.0 111.434 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.7 t -152.03 89.67 1.47 Allowed 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.905 0.882 . . . . 0.0 108.966 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.4 -88.41 0.81 Allowed Glycine 0 C--N 1.338 0.672 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -118.98 -20.1 8.24 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 122.678 0.391 . . . . 0.0 109.958 174.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -71.72 149.72 45.17 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.5 t -137.19 110.74 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -81.36 125.63 30.61 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 mt -126.99 155.24 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -172.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.09 154.46 19.86 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -140.24 140.11 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -175.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -139.69 104.6 4.95 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -175.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.11 154.67 50.6 Favored Pre-proline 0 N--CA 1.448 -0.528 0 C-N-CA 124.087 0.955 . . . . 0.0 108.627 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -60.87 153.64 61.79 Favored 'Trans proline' 0 N--CA 1.444 -1.434 0 C-N-CA 122.292 1.995 . . . . 0.0 110.249 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -65.45 -5.01 6.59 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.944 0.402 . . . . 0.0 110.244 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -73.6 -7.97 54.09 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.05 1.74 . . . . 0.0 112.678 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.4 m -132.65 168.59 23.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.54 153.94 20.54 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.804 0.335 . . . . 0.0 111.541 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -157.15 128.24 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 174.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -155.46 173.05 17.23 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.952 0.501 . . . . 0.0 110.361 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.419 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 74.9 ttt180 -68.63 156.17 38.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 173.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -58.87 -22.96 60.25 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.673 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.419 ' H ' ' HG2' ' A' ' 44' ' ' ARG . 18.3 tp10 -67.65 -49.03 64.95 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.148 0.579 . . . . 0.0 110.752 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 mm -76.85 -24.87 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 122.385 0.274 . . . . 0.0 110.334 -173.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.3 t80 . . . . . 0 N--CA 1.45 -0.443 0 C-N-CA 123.018 0.527 . . . . 0.0 111.577 -178.525 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 19.0 tpt . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 119.493 -0.289 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mt -140.41 154.52 46.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.02 136.93 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -131.83 164.81 25.23 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 125.321 1.448 . . . . 0.0 109.252 -173.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.5 m -138.54 98.64 3.63 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 171.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -104.69 162.93 12.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.816 1.246 . . . . 0.0 108.695 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -124.46 168.54 12.92 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 119.365 0.984 . . . . 0.0 110.598 172.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.467 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.1 m -58.39 127.09 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.06 -170.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.22 3.08 54.28 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.41 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -115.26 177.03 4.81 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.19 0.995 . . . . 0.0 110.337 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 51.8 m -141.64 168.77 18.96 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -169.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 51.5 mt -141.81 165.15 18.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 126.193 1.797 . . . . 0.0 106.966 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -139.06 156.46 47.16 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 119.054 0.843 . . . . 0.0 112.3 -176.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 52.9 mt -140.99 150.86 20.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 124.083 0.953 . . . . 0.0 108.771 177.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.76 -140.0 34.98 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -129.48 10.41 5.68 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.84 0.856 . . . . 0.0 109.853 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -144.12 11.42 1.55 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.425 0.69 . . . . 0.0 111.839 -176.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.07 146.74 33.15 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 CA-C-N 118.865 0.757 . . . . 0.0 110.569 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -141.15 154.72 46.02 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.751 0.82 . . . . 0.0 108.93 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.4 145.54 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -143.29 146.44 33.59 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 121.018 0.437 . . . . 0.0 110.038 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.408 HG13 ' HA ' ' C' ' 8' ' ' VAL . 0.8 OUTLIER -107.18 97.97 6.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 177.023 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.4 mt -68.04 -33.91 75.47 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.743 -174.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 165.32 -176.19 41.0 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.298 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.2 161.14 41.22 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 121.192 0.52 . . . . 0.0 111.201 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 19.0 p -151.52 89.46 1.49 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.863 0.865 . . . . 0.0 109.074 175.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.54 -99.28 1.46 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -112.4 -17.86 12.6 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -70.34 148.68 48.18 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -137.53 116.9 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.87 118.16 20.65 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 174.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -124.6 152.72 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -176.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.26 154.51 20.88 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -140.72 144.81 26.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -176.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -140.6 108.76 5.77 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -176.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.68 157.74 40.77 Favored Pre-proline 0 N--CA 1.455 -0.187 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.375 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.06 159.25 43.59 Favored 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 123.189 2.593 . . . . 0.0 111.04 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -71.03 -0.17 8.87 Favored 'General case' 0 C--O 1.23 0.054 0 CA-C-O 121.162 0.506 . . . . 0.0 110.069 173.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.49 -11.68 58.51 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.008 1.323 . . . . 0.0 110.594 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -139.24 168.1 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.158 0.983 . . . . 0.0 109.342 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.48 157.04 18.8 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.203 0.201 . . . . 0.0 110.521 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -156.71 128.57 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 175.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -156.21 172.3 18.69 Favored 'General case' 0 C--O 1.23 0.052 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . 0.467 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 5.4 ptp85 -80.64 166.35 21.17 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -58.83 -23.55 60.78 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . 0.467 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 55.0 tt0 -69.65 -38.15 77.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.014 0.526 . . . . 0.0 112.0 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.7 mm -90.53 -24.62 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.0 t80 . . . . . 0 N--CA 1.448 -0.53 0 C-N-CA 122.647 0.379 . . . . 0.0 111.526 -179.843 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 tpt . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mt -136.04 156.31 48.92 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 172.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -138.36 147.54 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 175.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -143.16 167.62 21.68 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.709 0.804 . . . . 0.0 109.516 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -135.98 95.58 3.24 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 172.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.555 HH21 HG23 ' A' ' 22' ' ' ILE . 9.1 ttp180 -107.47 179.51 4.22 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.956 0.902 . . . . 0.0 109.562 -177.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -137.4 171.31 14.66 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 118.453 0.569 . . . . 0.0 111.533 174.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.449 ' HA ' HG13 ' A' ' 22' ' ' ILE . 10.3 m -56.79 136.28 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.982 -173.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.72 -6.52 67.5 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.064 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -94.38 179.24 5.36 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.277 1.038 . . . . 0.0 111.502 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.2 m -146.41 166.33 26.69 Favored 'General case' 0 C--N 1.341 0.223 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -178.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.4 mm -143.87 168.6 11.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 125.893 1.677 . . . . 0.0 107.716 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -136.65 153.6 50.87 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.106 0.479 . . . . 0.0 112.117 -176.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -140.34 150.14 21.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 124.088 0.955 . . . . 0.0 108.702 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.92 -140.08 31.64 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -129.84 10.55 5.53 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.162 0.585 . . . . 0.0 110.374 176.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -142.1 12.65 2.01 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.888 0.875 . . . . 0.0 111.883 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -127.82 146.9 32.71 Favored 'Isoleucine or valine' 0 C--N 1.34 0.163 0 CA-C-N 118.977 0.808 . . . . 0.0 111.114 -178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.9 m -141.16 155.04 46.14 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.295 1.038 . . . . 0.0 108.676 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.9 mm -134.48 145.72 32.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.1 m -140.46 148.97 41.95 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.555 HG23 HH21 ' A' ' 6' ' ' ARG . 2.8 tp -108.22 94.59 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -66.13 -27.97 68.44 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -173.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.444 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 155.99 -169.95 33.68 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 118.141 0.428 . . . . 0.0 112.151 177.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -131.94 161.97 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 CA-C-O 121.047 0.451 . . . . 0.0 111.181 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.5 t -150.99 90.39 1.61 Allowed 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 176.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.83 -135.46 28.39 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -173.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -75.32 -17.36 60.27 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 117.72 0.76 . . . . 0.0 110.267 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.9 149.96 47.28 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.4 t -137.97 119.27 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 105.799 -1.926 . . . . 0.0 105.799 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -87.94 127.76 35.37 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mt -135.35 155.22 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -169.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.15 154.79 21.17 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.161 -1.175 . . . . 0.0 110.161 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.8 mt -140.59 144.09 27.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -176.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -140.53 107.67 5.48 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.54 157.96 40.92 Favored Pre-proline 0 C--O 1.234 0.262 0 C-N-CA 123.809 0.844 . . . . 0.0 109.212 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -64.58 159.79 43.06 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.448 2.765 . . . . 0.0 110.858 175.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -71.82 -0.53 11.41 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-O 121.025 0.441 . . . . 0.0 109.887 172.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.87 -11.61 56.41 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.704 1.201 . . . . 0.0 110.673 172.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -138.53 168.34 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.028 0.931 . . . . 0.0 109.66 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.19 155.88 22.26 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.326 -0.234 . . . . 0.0 110.819 -176.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.99 130.33 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -155.41 174.63 14.97 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.474 0.709 . . . . 0.0 109.511 177.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -73.56 164.04 27.2 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -60.88 -27.41 68.12 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.391 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -65.89 -38.26 88.29 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.976 0.511 . . . . 0.0 111.1 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -91.69 -29.36 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 122.19 0.196 . . . . 0.0 110.81 -173.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 84.9 t80 . . . . . 0 N--CA 1.454 -0.238 0 C-N-CA 123.521 0.728 . . . . 0.0 111.622 -178.712 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . 0.402 ' C ' HD13 ' C' ' 3' ' ' ILE . 5.2 mt -134.51 151.92 51.44 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.402 HD13 ' C ' ' C' ' 2' ' ' LEU . 4.5 mp -133.27 148.17 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -145.39 166.19 26.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.917 0.887 . . . . 0.0 110.082 -175.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.72 94.5 2.84 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.12 174.35 5.91 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 124.425 1.09 . . . . 0.0 109.431 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -131.53 171.2 13.7 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 118.535 0.607 . . . . 0.0 111.312 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.445 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.1 m -57.71 131.73 21.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.658 -171.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.98 0.71 58.65 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.392 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -104.98 178.37 4.58 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.091 0.946 . . . . 0.0 110.686 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 44.4 m -143.87 167.62 21.88 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -173.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 43.4 mt -143.37 165.16 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 125.809 1.643 . . . . 0.0 106.975 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -141.59 155.37 45.76 Favored 'General case' 0 N--CA 1.458 -0.075 0 O-C-N 121.443 -0.786 . . . . 0.0 112.241 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 52.7 mt -140.83 148.28 21.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 C-N-CA 124.176 0.99 . . . . 0.0 108.44 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.13 -138.78 38.64 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -129.94 10.41 5.47 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.575 0.75 . . . . 0.0 109.847 176.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -142.25 10.67 1.92 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.318 0.647 . . . . 0.0 112.016 -176.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -127.75 145.98 34.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 118.681 0.673 . . . . 0.0 110.353 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 46.3 m -140.05 155.16 47.18 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.5 mm -135.06 145.39 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 15.0 m -139.96 146.07 38.67 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.435 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.2 tp -105.65 95.69 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.32 -24.93 62.21 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -172.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.445 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.39 -173.98 35.52 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 118.057 0.39 . . . . 0.0 113.153 176.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -136.51 160.99 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 117.064 0.432 . . . . 0.0 111.714 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -150.21 89.03 1.55 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.603 1.161 . . . . 0.0 108.813 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.91 -102.4 1.54 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -106.64 -19.85 13.54 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 117.577 0.689 . . . . 0.0 109.289 172.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -68.26 149.03 49.97 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 53.0 t -138.27 116.67 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -77.79 121.07 23.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 mt -128.49 154.96 39.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.99 157.72 22.78 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.4 142.92 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -140.0 107.27 5.51 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -177.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.4 156.99 42.54 Favored Pre-proline 0 N--CA 1.452 -0.348 0 C-N-CA 123.421 0.688 . . . . 0.0 109.858 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.56 158.21 51.1 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 123.277 2.651 . . . . 0.0 110.799 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -72.45 -0.65 13.15 Favored 'General case' 0 CA--C 1.527 0.081 0 CA-C-O 120.981 0.419 . . . . 0.0 110.406 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.4 -7.26 48.82 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.539 1.136 . . . . 0.0 111.218 173.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -136.77 168.58 21.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 123.653 0.781 . . . . 0.0 109.177 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.03 156.83 20.7 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.822 0.344 . . . . 0.0 111.391 -175.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -156.06 125.04 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -151.05 171.0 18.02 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 36.9 mtp-105 -71.33 160.94 31.89 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -61.75 -19.56 62.59 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.6 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -75.98 -50.25 15.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.128 0.571 . . . . 0.0 110.817 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.66 -30.23 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 122.807 0.443 . . . . 0.0 110.266 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.5 t80 . . . . . 0 N--CA 1.452 -0.363 0 C-N-CA 122.737 0.415 . . . . 0.0 111.917 -177.602 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mt -140.2 156.16 46.62 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 172.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -136.3 131.79 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 174.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -127.21 158.02 38.24 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 125.173 1.389 . . . . 0.0 108.302 -175.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -141.4 102.72 4.27 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.736 0.303 . . . . 0.0 110.31 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.534 HH22 ' HB ' ' C' ' 30' ' ' VAL . 0.0 OUTLIER -132.6 170.75 14.75 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.42 ' HE3' ' OE1' ' C' ' 29' ' ' GLN . 7.9 ptpp? -114.5 175.26 5.56 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 -171.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.412 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 14.6 m -58.77 138.63 19.58 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 CA-C-O 121.034 0.445 . . . . 0.0 111.54 -174.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.46 -12.3 67.91 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.472 -0.627 . . . . 0.0 112.609 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -85.67 -178.83 6.74 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.116 0.958 . . . . 0.0 111.446 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -145.58 165.26 29.17 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.207 0.603 . . . . 0.0 111.584 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.9 mt -143.85 164.28 14.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -137.92 155.68 48.66 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 119.381 0.991 . . . . 0.0 112.562 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.7 mt -141.92 147.66 21.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 C-N-CA 124.054 0.942 . . . . 0.0 108.517 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.91 -140.88 33.9 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -129.21 10.4 5.8 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.739 0.815 . . . . 0.0 109.767 176.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -142.04 10.78 1.97 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.428 0.691 . . . . 0.0 111.616 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -129.1 144.31 38.57 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 CA-C-N 118.707 0.685 . . . . 0.0 110.894 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.0 m -140.85 155.23 46.38 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.2 mm -132.35 145.56 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 m -141.75 147.68 37.75 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -105.54 108.09 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mt -75.28 -24.87 57.61 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.685 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.412 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 150.64 -169.83 30.5 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 174.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 m -135.57 163.86 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 117.48 0.64 . . . . 0.0 111.596 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -151.1 103.04 3.0 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.184 0.994 . . . . 0.0 108.671 175.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.87 -102.62 1.0 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -111.03 -14.69 13.88 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -70.45 148.74 47.96 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.5 t -136.73 109.77 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -83.99 128.21 34.4 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -130.02 155.31 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -170.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.2 153.09 19.33 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 176.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.1 mt -140.55 145.55 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -175.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -139.94 106.62 5.36 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -176.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.75 155.53 41.26 Favored Pre-proline 0 N--CA 1.452 -0.363 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.661 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.05 158.74 46.12 Favored 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 123.49 2.793 . . . . 0.0 111.213 176.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -72.33 -1.56 15.9 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.899 0.381 . . . . 0.0 110.749 175.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -72.21 -7.09 47.35 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.63 1.172 . . . . 0.0 110.818 174.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -138.39 168.36 19.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.46 157.75 20.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.574 0.225 . . . . 0.0 111.222 -175.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -155.79 125.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 123.07 0.548 . . . . 0.0 109.605 177.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -156.19 172.02 19.17 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.613 0.765 . . . . 0.0 109.442 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.421 HH22 ' HB2' ' C' ' 4' ' ' LEU . 8.9 ptp180 -78.07 166.66 22.53 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 175.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -61.15 -21.19 63.54 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -73.49 -47.55 40.3 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.816 -0.552 . . . . 0.0 110.518 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -76.15 -26.8 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 . . . . . 0 N--CA 1.452 -0.345 0 O-C-N 122.274 -0.266 . . . . 0.0 111.608 -178.647 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.8 tpt . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . 0.403 ' C ' HD13 ' C' ' 3' ' ' ILE . 2.6 mt -140.03 150.62 44.62 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 174.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.403 HD13 ' C ' ' C' ' 2' ' ' LEU . 4.5 mp -138.49 133.47 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . 0.421 ' HB2' HH22 ' A' ' 44' ' ' ARG . 1.2 pp -163.14 165.56 24.43 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.9 m -115.71 151.52 34.95 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.289 0.566 . . . . 0.0 110.571 -173.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -144.89 162.37 37.02 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.125 1.37 . . . . 0.0 107.431 -176.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -128.8 168.04 16.46 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 119.743 1.156 . . . . 0.0 110.335 169.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.434 ' HA ' HG13 ' C' ' 22' ' ' ILE . 7.8 m -56.82 134.44 21.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.988 -171.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.41 -0.63 63.7 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.395 -0.669 . . . . 0.0 112.83 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -106.38 -178.91 3.79 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.272 1.036 . . . . 0.0 110.378 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 39.9 m -143.09 167.8 21.24 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -173.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mm -141.31 165.7 18.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 126.631 1.972 . . . . 0.0 106.958 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -139.56 153.95 47.53 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.551 0.614 . . . . 0.0 112.163 -176.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 53.7 mt -141.14 147.36 22.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 123.961 0.904 . . . . 0.0 108.829 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.03 -141.17 37.56 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -129.2 10.46 5.81 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.154 0.582 . . . . 0.0 109.607 176.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -141.9 11.31 2.01 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.398 0.679 . . . . 0.0 111.737 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.49 145.93 34.97 Favored 'Isoleucine or valine' 0 C--N 1.342 0.245 0 CA-C-N 118.667 0.667 . . . . 0.0 110.634 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 56.6 m -141.25 155.67 45.99 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.604 0.762 . . . . 0.0 109.112 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -135.03 143.34 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 32.8 m -142.9 121.76 12.72 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.434 HG13 ' HA ' ' C' ' 8' ' ' VAL . 2.0 tp -79.92 100.52 4.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mt -69.94 -30.85 68.33 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.187 -0.321 . . . . 0.0 111.447 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.433 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.69 -172.53 35.57 Favored Glycine 0 C--N 1.341 0.817 0 C-N-CA 121.61 -0.329 . . . . 0.0 112.748 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -132.66 164.16 35.85 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-O 121.06 0.457 . . . . 0.0 111.624 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 46.2 t -152.35 92.13 1.66 Allowed 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 124.062 0.945 . . . . 0.0 109.195 176.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.29 -102.01 1.79 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 -178.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -112.61 -16.17 12.88 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 172.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.42 ' OE1' ' HE3' ' A' ' 7' ' ' LYS . 3.3 mp0 -67.53 148.39 51.53 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . 0.534 ' HB ' HH22 ' A' ' 6' ' ' ARG . 63.1 t -138.39 113.37 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -87.29 128.75 35.17 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -133.02 153.52 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -175.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.3 156.72 15.53 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 56.3 mt -140.69 142.98 29.61 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -140.33 107.37 5.45 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.34 156.62 42.74 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 123.601 0.76 . . . . 0.0 109.959 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.27 158.8 50.43 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 123.378 2.719 . . . . 0.0 111.137 175.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -73.19 -0.88 15.54 Favored 'General case' 0 C--N 1.339 0.112 0 O-C-N 122.172 -0.33 . . . . 0.0 110.877 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.2 -6.72 41.71 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.005 0.922 . . . . 0.0 110.705 172.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -138.92 168.5 19.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 123.974 0.909 . . . . 0.0 108.892 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.23 158.5 18.89 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 111.149 -176.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -158.69 128.87 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -154.87 170.73 20.99 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.718 0.407 . . . . 0.0 110.055 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 26.1 ttp-105 -73.34 158.34 35.27 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 173.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -57.99 -24.7 59.24 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.17 0.441 . . . . 0.0 110.415 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.08 -35.23 74.04 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.501 0.72 . . . . 0.0 111.457 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -91.28 -30.42 4.81 Favored 'Isoleucine or valine' 0 C--N 1.338 0.096 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.8 t80 . . . . . 0 N--CA 1.454 -0.262 0 C-N-CA 122.877 0.471 . . . . 0.0 111.492 -177.671 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mt -138.81 152.54 47.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -135.7 148.68 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -148.17 169.7 19.45 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.622 0.769 . . . . 0.0 110.17 -175.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -133.63 97.86 4.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 172.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -101.99 163.15 12.4 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 125.088 1.355 . . . . 0.0 108.031 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -129.13 167.53 17.44 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 118.877 0.762 . . . . 0.0 110.885 173.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.475 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 5.8 m -56.11 131.99 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.298 -170.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.95 -4.14 57.43 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.498 177.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -105.55 -179.1 3.84 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.326 1.063 . . . . 0.0 111.108 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 m -141.96 168.48 19.64 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mm -141.39 163.44 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 126.978 2.111 . . . . 0.0 107.129 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -137.8 153.99 49.6 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.73 -0.606 . . . . 0.0 112.205 -175.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.7 mt -141.26 148.29 21.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 123.725 0.81 . . . . 0.0 109.094 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.79 -138.27 38.23 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -129.89 10.5 5.5 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.45 0.7 . . . . 0.0 109.978 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -143.37 11.06 1.7 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.13 0.572 . . . . 0.0 111.83 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.85 145.16 36.1 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 CA-C-N 118.943 0.792 . . . . 0.0 110.834 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 m -141.31 155.78 45.93 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.4 mm -134.63 146.78 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -140.81 145.49 36.36 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.432 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.6 tp -106.11 94.35 3.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -67.46 -27.67 67.23 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -173.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.475 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.63 -173.31 35.63 Favored Glycine 0 C--N 1.34 0.778 0 CA-C-N 118.435 0.561 . . . . 0.0 112.742 177.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -136.37 163.3 34.06 Favored 'Isoleucine or valine' 0 C--N 1.34 0.164 0 CA-C-N 117.042 0.421 . . . . 0.0 111.421 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.3 t -152.81 89.57 1.4 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.968 0.907 . . . . 0.0 108.945 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.51 -102.08 1.58 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.076 -1.209 . . . . 0.0 110.076 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -106.85 -16.78 14.38 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 173.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -69.47 148.19 49.87 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.0 t -139.74 114.68 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 ttt-85 -85.72 127.92 34.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -134.02 154.9 38.84 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -170.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.96 156.54 21.22 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.9 mt -140.54 142.23 31.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -140.37 106.05 5.13 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.75 158.0 40.21 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.693 0.797 . . . . 0.0 109.887 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -65.03 159.87 44.4 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 123.154 2.57 . . . . 0.0 110.992 175.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -71.44 -1.59 13.69 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.187 0.518 . . . . 0.0 109.652 173.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.04 -12.37 54.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.087 1.355 . . . . 0.0 110.759 173.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 m -135.96 168.33 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 123.995 0.918 . . . . 0.0 108.767 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.92 157.93 20.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 120.634 0.254 . . . . 0.0 110.375 -176.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.61 125.77 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 177.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -154.02 171.3 19.28 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 122.811 0.444 . . . . 0.0 110.343 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -69.72 157.04 38.04 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 175.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -57.93 -27.86 63.75 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.187 -0.321 . . . . 0.0 110.388 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -63.88 -50.31 69.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.002 0.521 . . . . 0.0 110.314 176.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.3 mm -76.37 -29.29 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.624 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 N--CA 1.454 -0.247 0 C-N-CA 123.012 0.525 . . . . 0.0 111.505 -178.927 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.6 tpt . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 119.549 -0.262 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mt -134.45 153.72 51.77 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.21 152.2 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.0 mt -145.13 165.66 27.65 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.981 0.912 . . . . 0.0 109.65 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.29 100.2 4.06 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 170.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.569 HH21 HG21 ' C' ' 22' ' ' ILE . 9.6 ttp180 -116.16 176.57 5.04 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.339 1.055 . . . . 0.0 109.898 -174.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -131.8 170.48 14.78 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 118.27 0.486 . . . . 0.0 112.228 176.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.446 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.7 m -56.23 129.95 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.757 -173.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.92 -19.47 35.34 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.241 -0.755 . . . . 0.0 113.498 177.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.71 177.54 7.0 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.7 1.25 . . . . 0.0 111.835 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -142.61 163.95 31.43 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.745 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 39.5 mm -139.71 167.29 19.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 126.051 1.74 . . . . 0.0 107.447 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -136.04 153.7 51.27 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.272 0.487 . . . . 0.0 111.91 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 51.2 mt -140.1 154.17 23.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 C-N-CA 124.274 1.03 . . . . 0.0 108.673 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.66 -140.28 41.06 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -129.74 10.22 5.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.635 0.774 . . . . 0.0 109.296 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -146.81 13.64 1.16 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.367 0.667 . . . . 0.0 111.885 -176.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -127.03 148.41 31.85 Favored 'Isoleucine or valine' 0 C--N 1.343 0.303 0 CA-C-N 119.085 0.857 . . . . 0.0 110.804 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.0 m -141.07 154.75 46.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -133.71 146.38 31.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -141.86 148.18 38.36 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.569 HG21 HH21 ' C' ' 6' ' ' ARG . 2.2 tp -106.73 94.57 3.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 mt -66.51 -28.21 68.38 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.121 -0.362 . . . . 0.0 111.7 -173.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.446 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.26 -173.11 35.39 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 118.096 0.407 . . . . 0.0 112.33 175.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.44 159.57 38.03 Favored 'Isoleucine or valine' 0 C--N 1.34 0.178 0 CA-C-N 117.276 0.538 . . . . 0.0 111.216 178.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 55.7 m -150.92 90.66 1.64 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 124.479 1.111 . . . . 0.0 108.664 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.25 -109.26 2.73 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -177.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -103.03 -16.95 15.64 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.98 145.15 53.84 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 81.9 t -137.38 114.26 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -85.46 125.27 32.9 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -129.83 152.95 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 123.344 0.402 . . . . 0.0 109.943 -171.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.16 154.41 18.9 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 109.999 -1.241 . . . . 0.0 109.999 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -140.32 139.82 35.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -137.98 105.99 5.7 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.17 155.95 50.58 Favored Pre-proline 0 N--CA 1.448 -0.54 0 C-N-CA 123.733 0.813 . . . . 0.0 108.868 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -62.02 153.98 65.15 Favored 'Trans proline' 0 N--CA 1.445 -1.37 0 C-N-CA 122.278 1.985 . . . . 0.0 110.105 178.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -66.03 -4.61 7.53 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.744 0.307 . . . . 0.0 110.308 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -74.19 -7.29 52.15 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 125.88 1.672 . . . . 0.0 112.7 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 24.8 m -132.98 168.41 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.75 154.69 19.67 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 120.975 0.417 . . . . 0.0 111.624 -175.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -157.88 127.51 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.165 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -153.63 172.86 16.57 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.72 0.408 . . . . 0.0 109.913 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 mtp-105 -72.0 158.9 35.14 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -59.01 -27.1 65.12 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.127 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -66.43 -38.03 86.51 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.152 0.581 . . . . 0.0 111.469 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.9 mm -90.95 -27.99 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-O 120.613 0.244 . . . . 0.0 110.775 -172.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.2 t80 . . . . . 0 N--CA 1.452 -0.349 0 C-N-CA 123.446 0.699 . . . . 0.0 111.409 -179.553 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 tpt . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mt -140.51 152.73 45.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 176.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.39 146.54 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 176.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.6 mt -147.32 168.47 21.7 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.881 0.872 . . . . 0.0 109.671 -176.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -130.86 97.24 4.28 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 173.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -103.8 157.33 17.15 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.921 1.689 . . . . 0.0 108.175 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -118.94 170.8 8.72 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 119.678 1.126 . . . . 0.0 111.379 173.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.47 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 12.1 m -57.48 135.6 21.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.93 -173.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.34 -0.6 66.13 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.303 176.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -105.77 -178.36 3.63 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 117.877 0.838 . . . . 0.0 110.385 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.5 m -141.35 168.38 19.92 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -173.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 mm -140.98 166.05 18.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 126.458 1.903 . . . . 0.0 107.032 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -140.66 153.98 46.22 Favored 'General case' 0 N--CA 1.458 -0.075 0 O-C-N 121.315 -0.866 . . . . 0.0 111.652 -174.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.2 mt -141.72 147.78 21.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 C-N-CA 123.853 0.861 . . . . 0.0 109.02 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.88 -139.72 27.8 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -178.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -130.09 11.0 5.47 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.285 0.634 . . . . 0.0 110.244 176.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -138.97 10.21 2.6 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.395 0.678 . . . . 0.0 111.774 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.19 145.14 36.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.158 0 CA-C-N 118.841 0.746 . . . . 0.0 110.683 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.9 m -141.38 156.23 45.84 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.8 mm -135.31 148.79 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -139.21 155.55 47.72 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -178.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.413 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 tp -121.3 86.97 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 mt -63.8 -28.46 69.88 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.941 -0.475 . . . . 0.0 112.001 -171.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.47 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.39 -174.09 38.76 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-N 118.434 0.561 . . . . 0.0 113.119 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.92 163.95 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 121.1 0.476 . . . . 0.0 111.396 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.1 t -151.42 89.65 1.51 Allowed 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 123.954 0.902 . . . . 0.0 108.886 175.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.33 -102.57 1.38 Allowed Glycine 0 CA--C 1.528 0.847 0 N-CA-C 109.744 -1.343 . . . . 0.0 109.744 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -106.33 -17.0 14.42 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 117.305 0.552 . . . . 0.0 109.629 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.42 ' HA ' HE21 ' A' ' 29' ' ' GLN . 0.8 OUTLIER -70.34 147.7 49.3 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.6 t -136.61 119.73 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.17 118.32 26.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -125.83 151.24 31.79 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.14 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -171.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.61 155.78 19.09 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.6 mt -142.04 143.26 26.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -176.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -140.33 107.36 5.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.83 156.35 41.08 Favored Pre-proline 0 N--CA 1.451 -0.394 0 C-N-CA 123.545 0.738 . . . . 0.0 110.135 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.27 159.1 48.83 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 123.652 2.902 . . . . 0.0 111.324 175.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -73.25 -0.75 15.32 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.696 0.284 . . . . 0.0 110.475 174.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -71.16 -6.33 38.6 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.889 0.876 . . . . 0.0 110.717 172.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m -138.95 168.25 19.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 C-N-CA 123.864 0.865 . . . . 0.0 109.087 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.61 158.66 18.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.823 0.344 . . . . 0.0 111.061 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -158.43 131.88 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 174.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -153.6 170.78 19.99 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -65.47 152.09 44.8 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 171.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -64.75 -10.32 26.69 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.616 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -74.94 -48.01 26.67 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.079 0.551 . . . . 0.0 109.852 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.27 -29.7 28.78 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 C-N-CA 123.153 0.581 . . . . 0.0 110.36 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.4 t80 . . . . . 0 N--CA 1.451 -0.412 0 O-C-N 122.203 -0.311 . . . . 0.0 111.443 -178.721 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpt . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 119.579 -0.248 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mt -140.38 152.88 46.11 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.167 0.439 . . . . 0.0 110.16 176.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -136.79 148.12 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -146.2 165.64 28.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.818 0.847 . . . . 0.0 110.148 -175.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -135.15 96.37 3.48 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 121.235 0.541 . . . . 0.0 109.595 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.08 -178.84 3.87 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 124.231 1.013 . . . . 0.0 108.876 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -133.28 173.35 11.55 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 172.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.447 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 9.4 m -60.89 132.9 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-O 121.177 0.513 . . . . 0.0 111.25 -174.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.56 -8.97 62.31 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.947 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -87.5 178.56 6.77 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 118.014 0.907 . . . . 0.0 111.336 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.5 m -145.43 168.72 19.87 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.085 0.554 . . . . 0.0 111.901 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 34.9 mt -146.48 164.3 8.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 125.804 1.642 . . . . 0.0 107.042 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -133.94 153.75 51.55 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.319 0.963 . . . . 0.0 111.929 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 45.3 mt -142.07 141.42 28.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 177.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.36 -139.37 38.45 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -175.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -131.3 10.5 4.88 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.033 0.533 . . . . 0.0 109.705 175.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -138.28 9.57 2.73 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.31 0.644 . . . . 0.0 111.692 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.37 141.35 46.14 Favored 'Isoleucine or valine' 0 C--N 1.337 0.053 0 CA-C-N 118.633 0.651 . . . . 0.0 109.752 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -137.46 157.12 47.26 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -133.07 147.81 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -143.61 144.2 31.81 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -106.06 100.63 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 177.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.71 -28.87 63.99 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 122.01 -0.431 . . . . 0.0 111.312 -174.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.447 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.77 -174.15 37.38 Favored Glycine 0 C--N 1.339 0.73 0 CA-C-N 118.286 0.494 . . . . 0.0 113.178 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.31 162.59 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-O 121.023 0.44 . . . . 0.0 111.694 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -150.91 89.26 1.52 Allowed 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.04 -102.49 1.24 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -107.55 -18.98 13.7 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 117.392 0.596 . . . . 0.0 109.821 175.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -69.72 147.9 49.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 176.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -138.34 116.44 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -80.17 115.87 19.97 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -123.6 151.21 28.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -175.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 154.54 19.32 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.2 mt -140.33 137.74 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -175.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -133.42 98.52 4.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -174.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.68 153.32 61.45 Favored Pre-proline 0 N--CA 1.452 -0.352 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.82 151.88 81.75 Favored 'Trans proline' 0 N--CA 1.444 -1.402 0 C-N-CA 122.473 2.115 . . . . 0.0 109.771 176.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -63.7 -8.48 10.4 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-O 121.461 0.648 . . . . 0.0 110.846 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.62 -8.99 16.38 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 125.483 1.513 . . . . 0.0 112.164 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -134.29 168.03 24.73 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.89 154.52 19.54 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.71 -0.396 . . . . 0.0 112.005 -174.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -160.36 130.58 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.16 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -157.07 171.87 19.69 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 124.336 1.054 . . . . 0.0 108.886 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -82.17 164.19 21.43 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 171.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -22.18 48.98 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -174.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -65.31 -43.23 91.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 119.034 0.834 . . . . 0.0 109.998 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.01 -28.79 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 57.9 t80 . . . . . 0 N--CA 1.451 -0.375 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.973 179.878 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mt -140.13 156.3 46.61 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 174.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -132.54 147.54 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -148.66 166.71 27.51 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.896 0.879 . . . . 0.0 110.479 -175.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -136.89 102.57 4.91 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.198 0.523 . . . . 0.0 109.836 171.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -105.15 163.61 12.45 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 124.412 1.085 . . . . 0.0 110.246 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' C' ' 28' ' ' GLN . 59.1 mtpt -118.69 167.43 11.67 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.418 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 11.3 m -62.36 129.19 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.368 -173.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.32 0.38 50.57 Favored Glycine 0 CA--C 1.53 0.98 0 CA-C-O 119.255 -0.747 . . . . 0.0 112.659 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -105.3 177.59 4.81 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.452 1.126 . . . . 0.0 110.859 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -143.48 166.79 23.81 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -173.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.6 mm -143.19 167.25 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 126.955 2.102 . . . . 0.0 106.931 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -139.04 157.11 46.58 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.322 -0.861 . . . . 0.0 112.536 -176.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.9 mt -141.24 148.04 21.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 124.176 0.99 . . . . 0.0 108.873 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.77 -140.28 30.58 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -128.58 10.35 6.11 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.526 0.73 . . . . 0.0 110.029 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -142.28 11.4 1.94 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.083 0.553 . . . . 0.0 111.516 -178.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.76 146.47 34.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 119.05 0.841 . . . . 0.0 110.789 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.8 m -140.82 157.51 45.28 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -135.52 146.44 29.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.7 m -142.57 146.51 34.67 Favored 'General case' 0 C--O 1.227 -0.112 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.75 95.11 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 178.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.11 -26.28 66.62 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.64 0.376 . . . . 0.0 111.975 -173.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.418 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 156.43 -172.31 34.19 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 118.112 0.415 . . . . 0.0 112.55 176.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 m -134.77 162.54 38.52 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 117.303 0.551 . . . . 0.0 111.524 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -150.37 89.55 1.58 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.289 1.035 . . . . 0.0 108.742 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.77 -102.64 1.33 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -107.42 -18.27 13.9 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 117.41 0.605 . . . . 0.0 109.796 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -68.11 147.74 51.9 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 175.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -136.24 116.41 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -86.17 127.15 34.67 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -132.22 155.01 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -170.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.15 154.45 20.57 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.5 mt -140.41 135.17 35.6 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -131.99 98.29 4.4 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.216 0.531 . . . . 0.0 109.942 -173.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.46 153.25 55.15 Favored Pre-proline 0 N--CA 1.447 -0.604 0 C-N-CA 124.398 1.079 . . . . 0.0 108.133 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.461 ' C ' ' H ' ' A' ' 39' ' ' ASP . 27.8 Cg_endo -62.23 152.89 73.54 Favored 'Trans proline' 0 N--CA 1.443 -1.463 0 C-N-CA 122.076 1.85 . . . . 0.0 109.452 176.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -2.99 2.67 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 121.821 0.82 . . . . 0.0 110.568 175.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 37' ' ' PRO . 19.3 t70 -63.39 -12.55 31.47 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 126.284 1.833 . . . . 0.0 111.897 173.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 m -132.86 166.77 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.759 0.824 . . . . 0.0 108.808 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.68 152.19 20.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.886 0.374 . . . . 0.0 111.043 -177.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -159.83 130.26 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 122.905 0.482 . . . . 0.0 109.809 173.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -155.87 172.11 18.92 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.84 0.856 . . . . 0.0 109.395 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -79.02 166.37 22.41 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 170.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -20.89 60.24 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -176.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -68.25 -48.44 65.09 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 118.477 0.581 . . . . 0.0 109.875 -178.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.14 -28.56 20.82 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -177.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.3 t80 . . . . . 0 N--CA 1.451 -0.421 0 O-C-N 122.359 -0.213 . . . . 0.0 111.065 -179.2 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mt -140.26 152.92 46.31 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -128.88 140.07 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -132.61 163.37 29.05 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.261 1.424 . . . . 0.0 109.098 -173.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.88 110.34 7.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 169.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -125.41 151.02 46.72 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 124.402 1.081 . . . . 0.0 109.297 -172.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -114.0 168.8 9.5 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 119.385 0.993 . . . . 0.0 111.417 176.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.473 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 9.1 m -57.29 132.48 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.011 -172.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.22 1.1 61.15 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.428 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -110.32 -178.73 3.58 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 117.767 0.783 . . . . 0.0 110.223 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 43.8 m -143.28 168.7 19.17 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -170.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 58.7 mt -142.28 164.6 17.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 125.899 1.68 . . . . 0.0 106.61 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -140.67 153.73 46.1 Favored 'General case' 0 C--O 1.23 0.05 0 O-C-N 121.064 -1.023 . . . . 0.0 112.335 -173.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mt -141.26 150.46 19.98 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 C-N-CA 123.692 0.797 . . . . 0.0 109.096 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.03 -139.56 33.03 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -129.73 10.57 5.58 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.284 0.633 . . . . 0.0 109.738 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -143.2 11.34 1.75 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.435 0.694 . . . . 0.0 111.426 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.3 143.7 40.38 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 CA-C-N 118.929 0.786 . . . . 0.0 110.922 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -140.87 157.59 45.16 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -133.46 146.18 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.2 m -138.56 143.78 39.58 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.403 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.0 OUTLIER -105.46 91.36 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.783 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.63 -31.73 72.63 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.853 -173.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.473 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 162.19 -173.15 38.46 Favored Glycine 0 C--N 1.337 0.602 0 O-C-N 122.124 -0.36 . . . . 0.0 112.335 178.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -134.45 163.29 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-O 121.054 0.454 . . . . 0.0 110.998 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -150.93 89.57 1.54 Allowed 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 176.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.47 -102.5 1.29 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . 0.43 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 23.6 mm100 -105.62 -18.31 14.12 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 117.022 0.411 . . . . 0.0 110.179 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -71.17 147.08 48.68 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 96.5 t -135.7 114.36 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 ttt-85 -88.11 126.44 35.12 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -130.12 155.23 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 -169.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.09 156.23 20.66 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 76.9 mt -140.21 134.71 36.09 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -131.97 98.67 4.5 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.191 0.52 . . . . 0.0 109.597 -173.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.42 153.28 55.34 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.214 176.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.455 ' C ' ' H ' ' C' ' 39' ' ' ASP . 30.9 Cg_endo -62.97 152.33 79.87 Favored 'Trans proline' 0 N--CA 1.442 -1.508 0 C-N-CA 122.269 1.979 . . . . 0.0 108.908 176.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -3.28 2.75 Favored 'General case' 0 N--CA 1.46 0.047 0 CA-C-O 121.681 0.753 . . . . 0.0 110.619 175.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' C' ' 37' ' ' PRO . 18.0 t70 -64.09 -11.55 30.94 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 126.092 1.757 . . . . 0.0 112.332 173.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 m -133.37 167.92 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.086 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.28 152.38 20.75 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 122.313 -0.242 . . . . 0.0 111.428 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -159.65 127.03 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.23 0.039 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -154.08 171.52 18.97 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.651 0.381 . . . . 0.0 110.446 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . 0.443 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 79.3 ttt180 -67.89 154.58 41.27 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 174.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -59.32 -21.09 59.21 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.934 0.397 . . . . 0.0 110.686 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . 0.443 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 20.6 tp10 -68.64 -48.5 63.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.296 0.638 . . . . 0.0 110.608 177.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -77.24 -25.86 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-O 120.856 0.36 . . . . 0.0 110.391 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.1 t80 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 123.541 0.737 . . . . 0.0 112.005 -178.359 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 2' ' ' LEU . 0.7 OUTLIER -132.63 156.43 46.94 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.733 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -131.92 148.37 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.1 mt -142.67 165.22 27.99 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.682 0.793 . . . . 0.0 109.947 -176.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.52 95.92 2.95 Favored 'General case' 0 C--N 1.337 0.051 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 173.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -104.62 178.24 4.62 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.321 1.049 . . . . 0.0 109.038 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.413 ' HE2' ' OE1' ' C' ' 29' ' ' GLN . 18.5 ptpt -133.15 172.97 11.94 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 118.476 0.58 . . . . 0.0 110.368 171.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.469 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.7 m -58.66 132.93 23.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -171.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.51 -9.0 58.77 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.576 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -92.77 179.03 5.6 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.226 1.013 . . . . 0.0 111.23 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.8 m -142.88 168.03 20.66 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.133 0.492 . . . . 0.0 112.018 -174.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mt -145.34 167.32 9.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 125.699 1.6 . . . . 0.0 107.241 -177.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -140.89 154.78 46.29 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 121.441 -0.787 . . . . 0.0 112.663 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.9 mt -140.67 150.4 20.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 124.261 1.024 . . . . 0.0 108.914 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.3 -140.47 36.13 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -129.08 10.51 5.87 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.388 0.675 . . . . 0.0 109.572 177.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -143.92 11.95 1.62 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.553 0.741 . . . . 0.0 111.98 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -127.99 146.29 33.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 CA-C-N 119.19 0.905 . . . . 0.0 110.6 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 42.9 m -138.37 154.75 48.94 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.977 0.911 . . . . 0.0 108.588 177.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -135.19 147.76 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.2 m -141.22 147.15 37.85 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -105.17 94.54 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.57 -27.37 67.67 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.877 -172.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.469 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.56 -171.72 35.36 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.8 m -127.36 162.56 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 CA-C-O 120.957 0.408 . . . . 0.0 110.933 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.5 t -150.43 75.91 1.24 Allowed 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 177.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.17 -138.85 33.24 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.242 -1.543 . . . . 0.0 109.242 -173.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -68.56 -12.12 60.86 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 117.384 0.592 . . . . 0.0 111.787 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -83.65 152.57 24.7 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.6 t -137.34 129.5 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -93.22 126.55 38.39 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mt -134.23 155.14 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -169.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.14 156.78 21.95 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.9 mt -140.38 142.6 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -140.35 106.44 5.21 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.59 157.74 41.03 Favored Pre-proline 0 C--O 1.233 0.213 0 C-N-CA 123.613 0.765 . . . . 0.0 109.51 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -64.32 158.68 47.53 Favored 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 122.96 2.44 . . . . 0.0 110.638 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -69.31 -0.86 6.85 Favored 'General case' 0 CA--C 1.527 0.072 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 173.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.6 -10.32 55.18 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 125.065 1.346 . . . . 0.0 111.271 174.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 m -137.23 168.07 22.04 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 C-N-CA 123.318 0.647 . . . . 0.0 109.646 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.89 155.41 19.37 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.578 0.227 . . . . 0.0 110.882 -177.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -157.11 126.27 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -153.06 171.88 17.72 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 122.699 0.4 . . . . 0.0 110.158 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.9 mtp-105 -72.11 160.81 31.83 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -61.5 -20.81 63.61 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -73.84 -48.53 30.52 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 122.938 0.495 . . . . 0.0 111.0 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.17 -25.46 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 N--CA 1.448 -0.547 0 O-C-N 122.032 -0.417 . . . . 0.0 111.068 -178.851 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mt -135.06 153.22 52.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.94 139.26 49.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -132.65 163.54 28.72 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.837 1.255 . . . . 0.0 109.498 -174.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.12 96.7 3.33 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 172.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -109.4 139.04 44.86 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 125.196 1.398 . . . . 0.0 110.598 -171.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -84.61 158.97 20.71 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 110.436 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.421 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 23.9 m -61.22 138.62 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.089 0.471 . . . . 0.0 110.072 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.38 1.24 75.3 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.623 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -106.88 179.15 4.35 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.103 0.952 . . . . 0.0 110.195 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -140.53 168.09 20.63 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -171.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 64.6 mt -143.75 164.64 14.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 126.293 1.837 . . . . 0.0 106.797 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -136.85 154.16 50.58 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 121.378 -0.826 . . . . 0.0 112.357 -175.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.5 mt -139.8 149.88 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.88 -140.06 35.32 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -129.23 10.48 5.8 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 123.677 0.791 . . . . 0.0 109.719 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -145.12 12.83 1.41 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.564 0.746 . . . . 0.0 111.862 -175.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.59 145.83 34.94 Favored 'Isoleucine or valine' 0 C--N 1.342 0.28 0 CA-C-N 118.7 0.682 . . . . 0.0 110.439 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 58.6 m -140.62 154.45 46.45 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.601 0.76 . . . . 0.0 109.025 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.4 mm -134.07 141.58 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 52.3 m -140.3 121.4 14.73 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -76.56 101.78 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 22.9 mt -70.79 -27.26 63.78 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 122.119 -0.363 . . . . 0.0 111.837 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.421 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 155.89 -170.89 33.75 Favored Glycine 0 C--N 1.338 0.675 0 CA-C-N 118.274 0.488 . . . . 0.0 112.814 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.02 160.72 41.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 121.304 0.573 . . . . 0.0 111.084 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -150.4 89.38 1.57 Allowed 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.96 -102.84 1.6 Allowed Glycine 0 C--N 1.337 0.585 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -106.63 -16.62 14.46 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 174.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.413 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 2.8 mp0 -67.65 152.5 45.52 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -140.54 110.25 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 N-CA-C 105.147 -2.168 . . . . 0.0 105.147 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -84.86 132.62 34.37 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -135.47 154.12 34.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -170.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.72 152.16 19.22 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.3 mt -140.14 145.53 26.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -140.66 107.14 5.29 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.85 155.76 44.39 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 123.265 0.626 . . . . 0.0 110.477 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.95 157.22 53.94 Favored 'Trans proline' 0 N--CA 1.45 -1.088 0 C-N-CA 123.586 2.857 . . . . 0.0 111.236 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -71.81 -1.44 14.12 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 120.917 0.389 . . . . 0.0 110.615 176.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -71.18 -7.32 45.95 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.269 1.028 . . . . 0.0 110.524 172.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.19 169.6 17.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 124.048 0.939 . . . . 0.0 109.112 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.95 159.5 19.03 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 122.258 -0.276 . . . . 0.0 111.038 -176.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 p -156.41 122.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 123.468 0.707 . . . . 0.0 109.275 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -153.32 176.74 11.64 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 122.803 0.441 . . . . 0.0 110.073 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 161.23 29.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 175.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -60.35 -24.32 64.97 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 120.712 0.291 . . . . 0.0 110.862 -177.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -67.99 -48.01 66.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.159 0.584 . . . . 0.0 110.919 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm -77.45 -24.49 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 CA-C-O 120.668 0.27 . . . . 0.0 110.918 -173.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.8 t80 . . . . . 0 N--CA 1.451 -0.401 0 C-N-CA 122.994 0.517 . . . . 0.0 111.696 -178.796 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 tpt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mt -140.26 155.52 46.84 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 173.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -134.62 135.26 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -133.25 162.2 32.43 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.374 1.07 . . . . 0.0 109.803 -170.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -135.66 127.08 28.57 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 169.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.93 178.74 6.55 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 125.304 1.442 . . . . 0.0 107.701 177.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -134.89 173.28 11.88 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 118.08 0.4 . . . . 0.0 109.985 170.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.473 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 6.3 m -58.73 124.84 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.215 -172.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.89 1.05 42.3 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.687 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -109.43 -179.26 3.78 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.133 0.966 . . . . 0.0 110.81 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.6 m -145.93 168.16 21.54 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -173.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.7 mt -140.47 164.21 22.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.136 1.775 . . . . 0.0 106.947 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -138.5 154.2 48.8 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 121.394 -0.816 . . . . 0.0 111.908 -174.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -140.63 147.67 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.25 -139.11 34.74 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.319 -1.113 . . . . 0.0 110.319 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -129.56 10.49 5.65 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 123.388 0.675 . . . . 0.0 109.789 176.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -141.77 10.7 2.02 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.549 0.74 . . . . 0.0 111.937 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -128.27 145.26 35.64 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 CA-C-N 118.734 0.697 . . . . 0.0 110.201 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.4 m -141.41 155.32 45.9 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.013 0.925 . . . . 0.0 109.181 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -134.63 145.3 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 m -139.95 146.85 39.69 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.43 HG13 ' HA ' ' A' ' 8' ' ' VAL . 0.9 OUTLIER -105.89 94.37 3.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.093 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.47 -26.08 66.2 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -173.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.473 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.4 -174.32 36.28 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-N 118.387 0.539 . . . . 0.0 112.714 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -138.64 163.77 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 117.37 0.585 . . . . 0.0 111.456 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -151.09 89.69 1.54 Allowed 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.831 0.852 . . . . 0.0 109.014 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.51 -102.48 1.39 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -106.44 -16.53 14.52 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 117.349 0.574 . . . . 0.0 109.841 175.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -68.77 147.09 52.29 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.4 t -138.9 114.33 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -84.16 126.62 33.29 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -132.62 154.97 40.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -171.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.17 154.87 20.76 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 177.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.7 mt -140.16 143.05 30.46 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -140.54 106.49 5.18 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -175.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.26 157.14 42.82 Favored Pre-proline 0 N--CA 1.45 -0.432 0 O-C-N 123.841 0.713 . . . . 0.0 110.16 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.15 159.44 46.83 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 123.561 2.841 . . . . 0.0 111.256 175.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -74.24 -1.02 18.79 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 122.183 -0.323 . . . . 0.0 110.865 175.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.39 -7.48 43.32 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.013 0.925 . . . . 0.0 110.595 172.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.13 168.41 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.23 1.012 . . . . 0.0 108.522 178.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.67 160.64 19.11 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.615 0.245 . . . . 0.0 110.988 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.64 129.84 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -154.52 173.97 15.56 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.073 0.549 . . . . 0.0 109.743 177.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.9 mtm105 -74.32 162.45 28.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 173.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -59.97 -28.18 67.45 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.317 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -65.37 -38.93 91.53 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.035 0.534 . . . . 0.0 111.432 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.6 mm -91.72 -27.43 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 122.365 0.266 . . . . 0.0 110.774 -172.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.2 t80 . . . . . 0 N--CA 1.456 -0.167 0 C-N-CA 122.966 0.506 . . . . 0.0 111.002 -179.901 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mt -137.47 156.12 48.52 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.98 148.32 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -146.2 165.84 27.98 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.05 0.94 . . . . 0.0 109.926 -177.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.48 96.86 3.67 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 171.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.34 162.18 13.91 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 124.877 1.271 . . . . 0.0 109.72 -176.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -121.62 168.2 12.04 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.72 1.145 . . . . 0.0 111.72 174.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.48 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.7 m -57.29 132.39 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.819 -172.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.34 1.15 60.93 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.578 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -108.69 179.78 4.09 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 117.634 0.717 . . . . 0.0 110.202 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 39.6 m -141.98 168.24 20.23 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -170.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.4 mt -144.67 166.6 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 126.001 1.72 . . . . 0.0 106.507 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -140.47 155.69 46.6 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 119.011 0.823 . . . . 0.0 112.168 -177.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 46.2 mt -142.22 153.79 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 124.084 0.953 . . . . 0.0 108.895 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.98 -141.33 33.31 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -128.57 10.44 6.13 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.644 0.778 . . . . 0.0 109.398 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -146.52 13.01 1.19 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.659 0.783 . . . . 0.0 111.763 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.05 147.17 32.71 Favored 'Isoleucine or valine' 0 C--N 1.34 0.196 0 CA-C-N 118.946 0.794 . . . . 0.0 110.696 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 57.6 m -139.94 154.3 47.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -134.01 146.79 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.1 m -139.71 146.95 40.23 Favored 'General case' 0 C--O 1.228 -0.039 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.404 HG13 ' HA ' ' C' ' 8' ' ' VAL . 0.8 OUTLIER -106.78 93.69 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.875 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.4 mt -66.38 -30.17 70.5 Favored 'General case' 0 C--N 1.341 0.22 0 O-C-N 122.067 -0.395 . . . . 0.0 111.913 -171.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.48 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 161.17 -174.89 37.82 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.798 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -137.68 161.96 32.79 Favored 'Isoleucine or valine' 0 C--N 1.338 0.106 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 45.8 t -153.7 113.99 3.96 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 172.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.13 -104.87 1.19 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -177.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -114.76 -13.29 12.05 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 117.096 0.448 . . . . 0.0 110.116 174.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -70.55 149.45 47.11 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -135.06 114.77 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -83.12 126.18 32.31 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -129.74 155.23 41.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 -173.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.62 153.03 19.77 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.8 mt -140.88 143.32 28.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -175.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -140.16 106.92 5.37 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.04 156.78 43.75 Favored Pre-proline 0 C--O 1.233 0.234 0 C-N-CA 123.533 0.733 . . . . 0.0 109.738 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.78 159.37 45.91 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 123.082 2.521 . . . . 0.0 111.038 176.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -73.01 -0.92 15.19 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-O 120.849 0.356 . . . . 0.0 110.663 175.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -72.52 -5.98 40.72 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.288 1.035 . . . . 0.0 110.671 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -138.48 168.45 19.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 123.671 0.788 . . . . 0.0 109.395 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.49 157.35 19.7 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.729 0.3 . . . . 0.0 111.362 -176.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -156.03 130.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.081 0 C-N-CA 122.742 0.417 . . . . 0.0 109.911 175.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -155.46 170.02 22.9 Favored 'General case' 0 C--N 1.338 0.067 0 C-N-CA 123.603 0.761 . . . . 0.0 109.185 176.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 ptt85 -82.44 164.17 21.15 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 175.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -55.36 -27.0 44.45 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -173.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.75 -38.95 80.47 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 122.117 -0.364 . . . . 0.0 111.856 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 22.4 mm -90.76 -28.87 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 110.67 -0.122 . . . . 0.0 110.67 -172.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 82.0 t80 . . . . . 0 N--CA 1.454 -0.274 0 C-N-CA 122.964 0.506 . . . . 0.0 111.643 -178.538 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' O ' " H4'" ' B' ' 40' ' ' ' G' . 16.3 tpt . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mt -132.03 153.18 50.66 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -135.98 137.59 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.454 HD13 ' C2 ' ' B' ' 38' ' ' ' A' . 4.5 mm? -130.18 159.09 37.89 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.256 1.422 . . . . 0.0 108.054 -178.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -139.02 96.35 3.1 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 172.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.26 162.55 28.72 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.101 0.961 . . . . 0.0 109.583 -176.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -112.16 176.04 5.18 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -169.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.468 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.3 m -57.87 133.11 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 120.979 0.418 . . . . 0.0 111.135 -174.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.97 -16.72 59.11 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.675 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -73.48 171.27 13.47 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 117.886 0.843 . . . . 0.0 111.293 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -142.27 158.11 44.09 Favored 'General case' 0 CA--C 1.526 0.047 0 C-N-CA 122.585 0.354 . . . . 0.0 110.814 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mm -141.78 165.15 18.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 125.606 1.562 . . . . 0.0 106.846 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -139.27 155.3 47.85 Favored 'General case' 0 C--O 1.233 0.192 0 O-C-N 121.611 -0.68 . . . . 0.0 112.495 -174.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mt -139.93 149.92 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 123.998 0.919 . . . . 0.0 108.852 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.84 -142.07 35.22 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -127.87 10.63 6.53 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.767 0.827 . . . . 0.0 109.476 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -143.66 12.06 1.68 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.174 0.589 . . . . 0.0 111.958 -176.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -127.97 146.27 33.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 CA-C-N 119.174 0.897 . . . . 0.0 110.803 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.9 m -139.76 154.13 47.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.798 0.839 . . . . 0.0 108.865 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mm -134.72 144.99 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.8 m -140.16 147.89 40.81 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -105.38 99.24 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.52 -27.8 65.48 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.221 -173.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.468 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 157.55 -173.52 34.96 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-N 117.969 0.349 . . . . 0.0 113.153 174.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.3 m -134.69 163.3 37.03 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 C-N-CA 122.662 0.385 . . . . 0.0 111.363 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -150.17 89.69 1.61 Allowed 'General case' 0 C--O 1.232 0.173 0 C-N-CA 124.23 1.012 . . . . 0.0 109.16 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.03 -90.28 0.79 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -114.63 -16.85 11.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 173.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -71.45 152.48 43.04 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -143.08 107.94 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -87.33 130.74 34.51 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -131.57 155.72 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.597 -169.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.49 154.72 20.15 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -139.56 145.48 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -176.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -140.26 107.12 5.39 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.32 157.91 38.84 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 123.77 0.828 . . . . 0.0 109.646 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.94 158.18 52.81 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 123.228 2.618 . . . . 0.0 110.844 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -71.82 -2.43 17.68 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.13 0.491 . . . . 0.0 110.549 176.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -72.4 -6.03 40.62 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.202 1.001 . . . . 0.0 111.143 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.6 167.96 20.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 C-N-CA 123.673 0.789 . . . . 0.0 109.176 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.46 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . -111.43 157.25 20.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.362 0.125 . . . . 0.0 111.307 -175.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -156.05 125.51 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.46 ' HE2' ' HB3' ' A' ' 41' ' ' ALA . 7.5 m-70 -157.51 170.32 22.7 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 124.061 0.945 . . . . 0.0 109.026 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -78.73 165.29 23.77 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 175.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -58.67 -25.82 63.18 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -172.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -65.01 -45.59 84.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.838 0.351 . . . . 0.0 111.075 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.0 mm -81.8 -24.09 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 120.797 0.332 . . . . 0.0 110.495 -173.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.493 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 84.0 t80 -60.77 -25.61 66.64 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.165 0.586 . . . . 0.0 111.914 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -75.07 -21.78 58.75 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.498 0.319 . . . . 0.0 111.845 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -76.79 -16.6 59.41 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 123.081 0.552 . . . . 0.0 109.884 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.4 mt -99.43 -50.83 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 O-C-N 123.448 0.467 . . . . 0.0 110.127 -173.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.493 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 86.9 mm-40 -66.34 1.7 1.51 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.01 -14.75 63.21 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.886 0.474 . . . . 0.0 111.628 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.08 11.36 0.03 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 115.002 0.761 . . . . 0.0 115.002 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -156.46 -177.6 6.71 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.396 1.098 . . . . 0.0 111.396 -173.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 m -146.54 3.11 0.86 Allowed 'General case' 0 N--CA 1.462 0.166 0 O-C-N 122.312 -0.243 . . . . 0.0 111.507 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.81 123.24 5.22 Favored Pre-proline 0 N--CA 1.452 -0.33 0 O-C-N 121.709 -0.619 . . . . 0.0 110.247 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -51.51 172.42 0.12 Allowed 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 124.437 3.425 . . . . 0.0 113.777 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 CA--C 1.531 0.228 0 C-N-CA 124.886 1.275 . . . . 0.0 113.128 -178.214 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.412 " H4'" ' C5 ' ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 O4'-C1'-N19 110.869 2.669 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.474 " O4'" ' C8 ' ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 C3'-C2'-C1' 103.328 2.031 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ' A' . . . . . 0.474 ' C8 ' " O4'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.312 2 C5'-C4'-C3' 109.107 -4.262 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.428 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 C3'-C2'-C1' 103.896 2.663 . 0.094 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . 0.406 " H4'" ' O ' ' A' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.422 -2.582 1 O4'-C1'-N19 113.087 4.887 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.344 0 C5'-C4'-C3' 109.573 -3.951 . 0.069 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 O4'-C1'-N19 112.032 3.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.402 " H1'" ' C6 ' ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.977 0 O4'-C1'-N19 110.477 2.277 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . 0.402 ' C6 ' " H1'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C5'-C4'-C3' 110.849 -3.1 . 0.417 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.425 ' C ' HD13 ' C' ' 3' ' ' ILE . 2.4 mt -140.08 149.12 42.7 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.425 HD13 ' C ' ' C' ' 2' ' ' LEU . 4.9 mp -138.29 138.2 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 176.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.76 166.16 26.95 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m -121.73 147.59 45.72 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 121.129 0.49 . . . . 0.0 109.968 -173.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -142.55 173.79 11.22 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 124.773 1.229 . . . . 0.0 107.829 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -138.22 170.92 15.19 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 119.707 1.14 . . . . 0.0 110.238 169.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.453 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 7.9 m -57.87 132.8 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 120.991 0.424 . . . . 0.0 111.937 -172.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.8 -2.06 58.33 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.597 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -106.76 -178.63 3.7 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 117.991 0.896 . . . . 0.0 110.582 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 46.1 m -142.81 168.27 20.11 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -173.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -141.7 164.15 19.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 126.438 1.895 . . . . 0.0 106.724 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -138.94 154.95 48.37 Favored 'General case' 0 C--O 1.231 0.091 0 O-C-N 121.533 -0.729 . . . . 0.0 112.126 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.1 mt -140.51 145.02 26.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.32 -140.78 35.65 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -130.2 11.11 5.43 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.582 0.753 . . . . 0.0 110.142 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -138.28 10.67 2.77 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.789 0.836 . . . . 0.0 112.007 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -129.28 145.79 35.22 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 119.139 0.881 . . . . 0.0 110.69 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 52.5 m -140.78 155.43 46.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.677 0.791 . . . . 0.0 109.017 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -134.28 142.82 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -139.96 125.38 19.04 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.741 0.305 . . . . 0.0 110.329 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.445 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.5 tp -82.92 98.14 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 177.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.36 -27.57 64.44 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.708 -172.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.453 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.86 -173.26 34.53 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 112.011 -0.435 . . . . 0.0 112.011 177.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -129.63 161.13 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.075 0 CA-C-N 117.181 0.491 . . . . 0.0 111.434 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -150.46 89.96 1.61 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.73 -139.19 34.54 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 108.51 -1.836 . . . . 0.0 108.51 -173.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -72.81 -18.4 61.47 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 117.789 0.795 . . . . 0.0 110.173 176.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.61 149.44 47.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.8 t -137.33 117.62 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -177.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -87.08 125.72 34.31 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -134.17 154.53 37.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -173.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.48 159.07 19.99 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.4 mt -140.57 143.11 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -140.27 106.69 5.29 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.38 156.93 42.62 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 123.477 0.711 . . . . 0.0 109.692 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.57 158.28 50.75 Favored 'Trans proline' 0 N--CA 1.449 -1.13 0 C-N-CA 123.197 2.598 . . . . 0.0 111.261 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -71.52 -2.19 15.99 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.708 0.29 . . . . 0.0 110.813 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -70.36 -7.04 39.76 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.219 1.008 . . . . 0.0 111.027 173.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 m -137.83 168.2 20.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 123.836 0.854 . . . . 0.0 108.992 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.64 158.26 19.48 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.8 0.333 . . . . 0.0 111.26 -175.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.5 127.46 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.058 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -155.27 174.25 15.48 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.092 0.557 . . . . 0.0 110.349 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -73.68 157.47 36.51 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 175.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -57.76 -24.05 55.18 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.292 -0.255 . . . . 0.0 110.764 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.33 -48.77 63.98 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.705 0.402 . . . . 0.0 110.984 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 15.4 mm -75.76 -25.15 17.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.299 -174.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.463 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 81.9 t80 -62.59 -30.79 71.59 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.812 0.445 . . . . 0.0 111.516 -178.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -72.63 -21.34 61.12 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 122.569 0.348 . . . . 0.0 111.379 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -77.17 -19.76 56.37 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 98.2 mt -99.47 -46.71 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.263 -172.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 75.0 mm-40 -70.02 3.08 2.94 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.972 -0.455 . . . . 0.0 111.846 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.2 -16.88 64.0 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.534 0.333 . . . . 0.0 111.065 174.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.73 18.86 0.07 OUTLIER Glycine 0 CA--C 1.528 0.874 0 CA-C-O 118.867 -0.963 . . . . 0.0 114.372 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -158.89 -176.63 5.98 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.078 1.439 . . . . 0.0 113.304 -170.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.5 p -145.15 6.48 1.14 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 124.623 1.169 . . . . 0.0 110.763 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.49 122.06 3.38 Favored Pre-proline 0 N--CA 1.452 -0.339 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -51.83 173.58 0.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 124.47 3.447 . . . . 0.0 114.392 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 CA--C 1.531 0.232 0 C-N-CA 123.844 0.857 . . . . 0.0 112.296 179.876 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 O4'-C1'-N19 111.805 3.605 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.426 " H3'" ' C8 ' ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C5'-C4'-C3' 110.529 -3.314 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' ' A' . . . . . 0.426 ' C8 ' " H3'" ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 O4'-C1'-N19 111.719 3.519 . 0.224 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' ' G' . . . . . 0.407 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 C3'-C2'-C1' 103.773 2.525 . 0.098 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 1 O4'-C1'-N19 112.772 4.572 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.004 0 C5'-C4'-C3' 110.053 -3.631 . 0.141 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.736 1 O4'-C1'-N19 112.295 4.095 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.415 " H1'" ' C5 ' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.995 0 C4'-C3'-C2' 100.465 -2.235 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . 0.415 ' C5 ' " H1'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.877 0 O4'-C1'-N19 111.789 3.589 . 0.014 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 tpt . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mt -138.46 154.28 48.84 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 175.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -137.57 146.56 27.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 177.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -147.34 166.13 28.05 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.628 0.771 . . . . 0.0 110.277 -175.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -132.75 99.41 4.61 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.454 0.645 . . . . 0.0 109.285 171.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -102.88 159.39 15.54 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 125.372 1.469 . . . . 0.0 108.529 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -122.43 170.62 9.78 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.67 1.123 . . . . 0.0 110.79 171.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.472 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 5.9 m -57.24 135.64 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.431 -172.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.7 1.79 70.53 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.569 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -107.15 -179.98 4.09 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 117.907 0.853 . . . . 0.0 110.748 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -145.36 172.19 13.53 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.4 mt -150.94 158.9 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 126.973 2.109 . . . . 0.0 107.019 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -134.13 154.65 51.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.708 0.686 . . . . 0.0 111.239 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.3 mt -140.08 144.68 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.44 -139.63 30.38 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 109.916 -1.273 . . . . 0.0 109.916 -175.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -130.79 10.61 5.11 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.226 0.61 . . . . 0.0 109.428 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -138.21 10.63 2.79 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.354 0.661 . . . . 0.0 111.51 -178.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.67 145.08 36.1 Favored 'Isoleucine or valine' 0 C--N 1.343 0.297 0 CA-C-N 118.393 0.542 . . . . 0.0 110.257 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.9 m -140.23 156.38 46.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -137.11 145.11 30.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.0 m -142.98 146.14 33.64 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.427 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.3 tp -105.51 97.99 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.8 mt -66.88 -29.97 70.0 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -173.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.472 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.5 -173.35 36.26 Favored Glycine 0 CA--C 1.526 0.753 0 CA-C-N 118.158 0.435 . . . . 0.0 112.517 177.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -134.91 163.64 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 CA-C-O 121.236 0.541 . . . . 0.0 111.3 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.2 t -152.5 89.72 1.44 Allowed 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.72 -102.61 1.54 Allowed Glycine 0 C--N 1.337 0.607 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -106.73 -17.5 14.21 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -71.79 146.08 48.28 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.2 t -137.3 111.11 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 -176.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -84.27 123.86 30.6 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -127.01 155.16 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.121 -172.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.27 154.86 20.51 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.5 mt -141.09 144.45 26.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -175.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -140.56 109.1 5.89 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.87 156.8 40.99 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 123.456 0.702 . . . . 0.0 109.569 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.54 158.58 44.91 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 122.973 2.449 . . . . 0.0 111.13 176.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -70.25 -0.84 8.73 Favored 'General case' 0 CA--C 1.527 0.094 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 173.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -67.17 -11.64 57.87 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.416 1.486 . . . . 0.0 110.905 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 m -138.63 168.39 19.59 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 C-N-CA 123.632 0.773 . . . . 0.0 109.851 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.99 155.66 20.63 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.81 0.338 . . . . 0.0 110.842 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -156.11 129.03 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.086 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -156.84 174.79 14.97 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 123.915 0.886 . . . . 0.0 108.75 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -81.61 168.09 18.54 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 173.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -59.84 -23.19 63.19 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -70.07 -39.88 75.36 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 122.044 -0.41 . . . . 0.0 111.728 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -86.43 -26.21 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -174.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -58.31 -30.44 66.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 122.722 0.409 . . . . 0.0 111.068 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -68.29 -21.27 64.8 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.853 0.461 . . . . 0.0 111.321 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -85.8 -22.08 27.83 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mm -72.57 -48.06 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -80.26 2.71 23.46 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.969 0.908 . . . . 0.0 111.605 -175.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.86 -16.97 63.91 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.94 24.25 0.11 Allowed Glycine 0 C--N 1.34 0.79 0 CA-C-O 119.045 -0.864 . . . . 0.0 113.857 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -151.14 23.19 0.74 Allowed 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 118.765 1.283 . . . . 0.0 114.376 -169.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.7 m -63.32 -7.56 6.62 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.062 0.846 . . . . 0.0 111.128 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -145.75 77.68 12.18 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 125.25 1.42 . . . . 0.0 107.868 176.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -50.01 174.13 0.05 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.419 1 C-N-CA 126.098 4.532 . . . . 0.0 115.744 -173.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t70 . . . . . 0 CA--C 1.534 0.351 0 C-N-CA 124.965 1.306 . . . . 0.0 112.938 -179.014 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 C5'-C4'-C3' 111.913 -2.391 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.778 0 O5'-C5'-C4' 113.426 2.305 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ' A' . . . . . 0.482 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.391 3.191 . 0.116 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.482 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C3'-C2'-C1' 103.683 2.426 . 0.052 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 1 O4'-C1'-N19 113.506 5.306 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C5'-C4'-C3' 110.54 -3.306 . 0.101 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ' C' . . . . . 0.441 " C3'" H5'' ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.776 1 O4'-C1'-N19 112.649 4.449 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.502 " O4'" ' C6 ' ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.408 -3.774 0 C4'-C3'-C2' 99.075 -3.625 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . 0.502 ' C6 ' " O4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 O4'-C1'-N19 111.62 3.42 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.55 -0.262 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.7 mt -139.52 154.29 47.65 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 118.269 0.486 . . . . 0.0 109.916 175.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -136.92 145.88 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -146.47 168.3 21.52 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.083 0.953 . . . . 0.0 109.804 -176.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 9.8 m -134.71 101.18 4.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.418 0.627 . . . . 0.0 109.395 171.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -104.05 162.73 12.9 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 124.931 1.293 . . . . 0.0 108.468 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -127.15 168.35 14.78 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 119.359 0.981 . . . . 0.0 110.873 173.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.46 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.0 m -56.86 131.47 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.319 0.58 . . . . 0.0 112.1 -170.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.42 0.79 59.38 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.443 -0.798 . . . . 0.0 112.657 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -110.5 -179.6 3.81 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.972 0.886 . . . . 0.0 109.947 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 41.8 m -144.0 168.26 20.41 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -170.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -141.89 164.74 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 126.144 1.778 . . . . 0.0 107.108 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -140.05 154.3 47.04 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.898 0.772 . . . . 0.0 112.053 -176.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 46.5 mt -141.77 147.51 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -141.42 35.31 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -130.13 10.43 5.38 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.536 0.735 . . . . 0.0 110.285 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -138.94 10.2 2.6 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.648 0.779 . . . . 0.0 111.949 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.27 145.4 35.43 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-N 119.057 0.844 . . . . 0.0 110.709 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -140.75 156.02 46.29 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -135.31 145.79 31.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.5 m -140.05 145.68 38.02 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.441 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.0 OUTLIER -105.75 94.48 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.43 -28.8 69.49 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -173.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.46 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.03 -173.29 36.67 Favored Glycine 0 CA--C 1.524 0.651 0 CA-C-N 118.26 0.482 . . . . 0.0 112.775 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -137.47 163.67 30.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 117.018 0.409 . . . . 0.0 111.185 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.2 t -151.8 89.73 1.49 Allowed 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.993 0.917 . . . . 0.0 109.049 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.78 -102.53 1.42 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -177.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -106.09 -17.77 14.23 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 117.066 0.433 . . . . 0.0 109.903 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -69.26 147.05 51.76 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -139.23 111.98 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 -177.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 ttt-85 -85.77 127.34 34.51 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -131.37 155.04 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -170.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.77 154.58 19.77 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -140.55 142.21 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -139.72 106.12 5.3 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.2 157.93 42.04 Favored Pre-proline 0 N--CA 1.453 -0.295 0 C-N-CA 123.867 0.867 . . . . 0.0 109.395 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.81 158.95 48.11 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 123.252 2.634 . . . . 0.0 110.829 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -70.08 -0.69 8.11 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 121.116 0.484 . . . . 0.0 110.41 172.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.98 -11.6 57.29 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.052 1.341 . . . . 0.0 110.888 173.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 m -137.34 168.55 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.752 0.821 . . . . 0.0 109.838 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.41 155.45 20.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 122.25 -0.281 . . . . 0.0 110.959 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -157.78 128.08 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 174.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -154.43 165.99 34.66 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.89 0.476 . . . . 0.0 109.953 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -63.22 151.49 40.25 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 172.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -64.28 -12.21 39.27 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.616 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.24 -43.87 66.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.421 0.688 . . . . 0.0 110.466 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 16.5 mm -83.1 -25.21 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 O-C-N 122.255 -0.278 . . . . 0.0 110.496 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -59.2 -28.14 66.37 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 122.174 -0.329 . . . . 0.0 110.885 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -77.23 -21.98 52.95 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.749 0.419 . . . . 0.0 111.354 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -81.79 -17.02 49.04 Favored 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 123.467 0.707 . . . . 0.0 109.796 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 91.5 mt -99.05 -47.33 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 O-C-N 123.17 0.294 . . . . 0.0 110.616 -173.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -68.61 2.97 2.06 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.92 -15.15 63.02 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 119.511 -0.281 . . . . 0.0 111.666 175.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.29 14.33 0.05 OUTLIER Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.122 -0.821 . . . . 0.0 114.656 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -156.97 -172.15 3.93 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.887 1.343 . . . . 0.0 112.111 -172.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 5.1 m -142.33 -1.2 1.2 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.609 0.364 . . . . 0.0 111.597 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.1 76.96 5.69 Favored Pre-proline 0 CA--C 1.532 0.26 0 O-C-N 121.733 -0.604 . . . . 0.0 110.831 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -47.34 -47.72 16.83 Favored 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 123.843 3.029 . . . . 0.0 113.31 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 N--CA 1.455 -0.204 0 C-N-CA 122.701 0.401 . . . . 0.0 109.92 -176.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 1 C5'-C4'-C3' 109.136 -4.243 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.832 1 C5'-C4'-C3' 107.929 -5.047 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' ' A' . . . . . 0.44 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.865 0 O4'-C1'-N19 111.072 2.872 . 0.185 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' ' G' . . . . . 0.44 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 P-O3'-C3' 122.743 2.536 . 0.105 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 O4'-C1'-N19 113.261 5.061 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C3'-C2'-C1' 104.335 3.15 . 0.145 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' ' C' . . . . . 0.434 " H3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.801 1 O4'-C1'-N19 112.584 4.384 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.528 " O4'" ' C6 ' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.407 -3.835 0 C4'-C3'-C2' 98.739 -3.961 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . 0.528 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 O4'-C1'-N19 111.754 3.554 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.536 -0.172 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mt -100.75 152.08 20.91 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.852 0.358 . . . . 0.0 110.473 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -137.09 133.44 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 172.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -161.08 165.55 29.48 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -125.69 147.07 49.47 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 121.066 0.46 . . . . 0.0 111.241 -171.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.81 173.6 11.33 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 125.839 1.656 . . . . 0.0 107.985 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -129.52 171.34 12.68 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.298 0.499 . . . . 0.0 109.883 168.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.471 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.2 m -56.52 133.6 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.768 -174.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.35 1.56 62.41 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.806 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -106.21 179.47 4.26 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.119 0.96 . . . . 0.0 111.542 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.7 m -144.57 168.35 20.35 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -171.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.9 mm -144.88 164.09 13.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 127.119 2.168 . . . . 0.0 107.292 -176.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -135.63 153.41 51.65 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.269 0.94 . . . . 0.0 112.086 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt -140.94 143.13 28.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 177.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.85 -138.75 44.17 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -176.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -130.65 10.32 5.14 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -141.79 11.06 2.03 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.267 0.627 . . . . 0.0 112.055 -175.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.25 141.07 47.26 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.139 0 CA-C-N 118.925 0.784 . . . . 0.0 109.703 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.7 m -136.58 154.85 50.57 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -134.2 146.39 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.1 m -142.58 145.74 33.88 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -102.96 100.53 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.87 -29.77 68.14 Favored 'General case' 0 CA--C 1.528 0.132 0 O-C-N 122.189 -0.32 . . . . 0.0 111.489 -174.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.471 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.26 -174.89 35.49 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-N 118.077 0.399 . . . . 0.0 112.584 176.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -138.71 163.71 27.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 O-C-N 122.411 -0.464 . . . . 0.0 111.044 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.7 t -154.26 115.22 4.03 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 172.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.08 -102.51 0.66 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -115.37 -13.94 11.64 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.954 0.377 . . . . 0.0 110.613 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -71.27 148.75 46.87 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.6 t -137.63 110.79 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -86.65 126.89 34.84 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -128.76 155.22 40.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -170.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.1 154.41 19.84 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 109.764 -1.335 . . . . 0.0 109.764 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.6 mt -140.59 143.06 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -139.52 105.82 5.27 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -176.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.4 157.25 42.22 Favored Pre-proline 0 N--CA 1.452 -0.353 0 C-N-CA 123.496 0.718 . . . . 0.0 109.644 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -64.71 158.72 48.93 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 123.211 2.607 . . . . 0.0 110.884 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -70.76 -0.43 8.92 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 121.178 0.513 . . . . 0.0 110.055 172.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.68 -11.3 53.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.844 1.258 . . . . 0.0 110.698 173.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -138.56 168.63 19.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 123.895 0.878 . . . . 0.0 109.37 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.44 158.38 18.01 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -158.15 129.22 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -155.68 171.43 19.99 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 122.906 0.482 . . . . 0.0 110.015 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -70.05 158.48 35.62 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -61.46 -19.43 61.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.852 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -69.96 -47.86 60.63 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.101 0.56 . . . . 0.0 110.43 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -78.71 -25.65 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 120.697 0.284 . . . . 0.0 110.868 -173.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.448 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 86.5 t80 -62.27 -27.25 68.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 122.736 0.414 . . . . 0.0 111.497 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -74.1 -20.76 60.16 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.841 -0.537 . . . . 0.0 111.567 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -73.86 -17.91 60.99 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.9 mt -99.23 -41.51 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 C-N-CA 123.196 0.598 . . . . 0.0 109.697 -174.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 72.5 mm-40 -71.84 2.3 5.68 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 121.992 -0.442 . . . . 0.0 111.959 178.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.39 -13.87 62.6 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 123.116 0.567 . . . . 0.0 112.022 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.1 18.56 0.08 OUTLIER Glycine 0 C--N 1.343 0.921 0 CA-C-O 119.161 -0.799 . . . . 0.0 113.964 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 pp -158.28 -171.02 3.31 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.658 1.229 . . . . 0.0 112.023 -170.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 m -141.54 5.6 1.82 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.888 0.475 . . . . 0.0 110.443 176.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.87 78.26 7.45 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 123.104 0.562 . . . . 0.0 110.315 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -48.65 147.77 9.21 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 124.337 3.358 . . . . 0.0 114.119 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 125.332 1.453 . . . . 0.0 114.361 175.865 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 C5'-C4'-C3' 110.36 -3.427 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.481 " H3'" ' C8 ' ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 C5'-C4'-C3' 109.726 -3.849 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ' A' . . . . . 0.481 ' C8 ' " H3'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 O4'-C1'-N19 111.978 3.778 . 0.116 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.427 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 P-O3'-C3' 122.425 2.27 . 0.078 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 1 O4'-C1'-N19 114.101 5.901 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.42 0 C5'-C4'-C3' 109.94 -3.706 . 0.1 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 O4'-C1'-N19 111.992 3.792 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.403 " H1'" ' C5 ' ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.963 0 C4'-C3'-C2' 100.623 -2.077 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . 0.403 ' C5 ' " H1'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.822 1 O4'-C1'-N19 112.353 4.153 . 0.01 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.0 tpt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mt -138.7 150.8 46.57 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.827 0.451 . . . . 0.0 109.836 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -138.75 134.42 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.51 165.39 26.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -123.17 147.32 46.97 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.218 0.533 . . . . 0.0 111.512 -171.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.25 173.93 11.02 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 125.914 1.686 . . . . 0.0 108.022 -178.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -132.07 170.99 14.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.34 0.518 . . . . 0.0 110.369 168.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.48 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 7.4 m -56.34 128.38 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.771 -173.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.81 4.11 55.81 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.423 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -110.25 179.84 3.98 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.196 0.998 . . . . 0.0 111.113 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -145.63 168.0 21.73 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -172.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -142.29 165.42 17.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 127.064 2.146 . . . . 0.0 106.642 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -139.15 155.56 47.77 Favored 'General case' 0 CA--C 1.524 -0.052 0 O-C-N 121.385 -0.822 . . . . 0.0 112.154 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.0 mt -139.85 152.53 22.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.59 -139.24 35.76 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -130.39 10.43 5.26 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.707 0.803 . . . . 0.0 109.003 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -144.78 12.21 1.45 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.746 0.818 . . . . 0.0 111.871 -175.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -127.43 146.09 33.79 Favored 'Isoleucine or valine' 0 C--N 1.34 0.183 0 CA-C-N 119.018 0.826 . . . . 0.0 110.733 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -138.54 153.47 48.72 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.69 145.08 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -140.68 146.44 37.85 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.405 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.0 OUTLIER -105.04 94.82 3.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -66.66 -28.68 68.66 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.92 -173.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.48 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.42 -173.82 37.05 Favored Glycine 0 CA--C 1.525 0.66 0 CA-C-N 118.035 0.38 . . . . 0.0 113.015 176.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -135.86 163.56 34.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 C-N-CA 122.535 0.334 . . . . 0.0 111.023 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 46.9 t -151.01 89.96 1.57 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.79 -95.39 1.01 Allowed Glycine 0 C--N 1.337 0.59 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -114.35 -15.08 12.16 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 174.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -69.65 149.59 47.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 81.0 t -138.41 111.53 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -87.48 127.99 35.23 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.19 155.39 41.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -169.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.56 153.92 20.16 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.4 mt -140.84 143.35 28.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -175.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -140.24 106.56 5.27 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.18 157.63 42.46 Favored Pre-proline 0 N--CA 1.451 -0.393 0 C-N-CA 123.699 0.8 . . . . 0.0 109.349 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.65 158.04 52.36 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 122.984 2.456 . . . . 0.0 110.872 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -71.71 -3.65 23.05 Favored 'General case' 0 CA--C 1.526 0.038 0 O-C-N 122.115 -0.365 . . . . 0.0 110.506 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -69.57 -7.51 39.12 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.554 1.141 . . . . 0.0 110.989 174.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -136.4 168.67 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.153 0.981 . . . . 0.0 108.528 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.82 157.93 21.66 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.67 0.271 . . . . 0.0 110.959 -175.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -158.26 131.41 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -156.79 172.03 19.34 Favored 'General case' 0 C--N 1.339 0.118 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 73.0 mtm-85 -68.72 156.25 38.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -65.97 -8.42 22.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 110.44 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -79.24 -48.53 14.02 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.449 0.7 . . . . 0.0 109.73 174.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.42 -27.43 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.223 0.609 . . . . 0.0 109.804 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.457 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 77.0 t80 -60.33 -30.63 69.64 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 122.271 0.228 . . . . 0.0 111.399 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -74.87 -21.37 59.29 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 122.229 -0.294 . . . . 0.0 111.331 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -78.4 -17.67 56.09 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 123.084 0.553 . . . . 0.0 109.609 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -99.43 -46.63 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 C-N-CA 122.657 0.383 . . . . 0.0 110.674 -173.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.457 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 84.2 mm-40 -69.37 2.97 2.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.31 -16.31 64.19 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 122.895 0.478 . . . . 0.0 111.531 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.04 16.52 0.04 OUTLIER Glycine 0 CA--C 1.528 0.895 0 CA-C-O 119.217 -0.768 . . . . 0.0 113.822 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 pp -157.01 -169.88 3.1 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.476 1.138 . . . . 0.0 111.613 -172.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.1 m -136.93 -7.51 1.85 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.694 0.398 . . . . 0.0 110.787 178.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.64 116.22 2.47 Favored Pre-proline 0 N--CA 1.452 -0.363 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -47.85 -38.78 31.04 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.997 3.132 . . . . 0.0 113.486 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 N--CA 1.456 -0.161 0 O-C-N 123.251 0.344 . . . . 0.0 110.764 -176.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.406 H5'' ' C6 ' ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 110.119 -3.588 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.48 " H3'" ' C8 ' ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.927 1 C5'-C4'-C3' 108.547 -4.635 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' ' A' . . . . . 0.504 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.687 1 O4'-C1'-N19 112.923 4.723 . 0.099 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' ' G' . . . . . 0.504 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.303 0 C3'-C2'-C1' 103.844 2.604 . 0.056 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 1 O4'-C1'-N19 113.673 5.473 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 C5'-C4'-C3' 110.263 -3.491 . 0.11 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' ' C' . . . . . 0.436 " H3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.864 1 O4'-C1'-N19 112.403 4.203 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.523 " O4'" ' C6 ' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.408 -3.755 0 C4'-C3'-C2' 99.096 -3.604 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . 0.523 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 111.737 3.537 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 tpt . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mt -140.85 156.39 46.14 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 174.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.436 HG23 ' H62' ' B' ' 43' ' ' ' A' . 4.6 mp -136.88 145.23 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 176.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -144.6 166.8 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.954 0.901 . . . . 0.0 109.769 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.19 97.86 3.96 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 172.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -104.56 162.2 13.46 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.272 1.429 . . . . 0.0 109.188 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -120.25 169.69 10.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.859 1.209 . . . . 0.0 111.419 172.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.46 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 8.8 m -58.9 134.61 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.433 -173.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.25 -3.86 60.15 Favored Glycine 0 CA--C 1.527 0.813 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.46 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -104.86 -178.98 3.81 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.152 0.976 . . . . 0.0 110.887 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.3 m -143.18 173.42 11.6 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -171.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.418 ' HA ' ' HA ' ' C' ' 44' ' ' ARG . 37.4 mt -153.38 165.01 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 126.911 2.085 . . . . 0.0 106.932 -172.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -141.3 155.25 45.99 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 119.276 0.944 . . . . 0.0 112.415 -175.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.4 mt -139.58 151.6 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.88 -140.02 35.42 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -129.96 10.17 5.43 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -142.47 12.28 1.93 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.784 0.833 . . . . 0.0 111.694 -176.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.77 146.15 34.56 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-N 118.769 0.713 . . . . 0.0 109.987 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -139.93 155.02 47.36 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.4 mm -135.66 148.61 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -141.28 146.84 37.29 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -105.89 94.78 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 177.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.5 mt -66.44 -30.42 70.77 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -173.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.46 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 160.05 -172.86 36.63 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.559 -0.353 . . . . 0.0 113.043 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -132.19 163.12 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.863 0.363 . . . . 0.0 111.406 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.4 t -151.99 90.34 1.52 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.966 0.907 . . . . 0.0 108.997 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.41 -100.61 1.55 Allowed Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -113.25 -17.32 12.36 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -68.76 149.75 48.66 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.1 t -135.83 117.68 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -82.7 121.18 26.53 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.4 155.16 34.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -174.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.63 154.32 20.36 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.9 mt -140.99 142.99 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -140.32 107.24 5.41 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.12 156.94 40.27 Favored Pre-proline 0 N--CA 1.453 -0.313 0 C-N-CA 123.391 0.676 . . . . 0.0 110.093 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.49 158.78 51.08 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 123.577 2.852 . . . . 0.0 111.431 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -72.87 -0.86 14.68 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.831 0.348 . . . . 0.0 110.622 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.83 -7.44 45.35 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.172 0.989 . . . . 0.0 110.826 172.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -138.5 168.46 19.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 123.786 0.834 . . . . 0.0 108.869 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.11 159.83 17.0 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -175.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.4 p -159.73 129.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 123.533 0.733 . . . . 0.0 109.75 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -153.72 172.79 16.74 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 122.979 0.512 . . . . 0.0 110.036 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -71.3 159.35 34.75 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -60.0 -23.62 63.81 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.328 0.513 . . . . 0.0 110.394 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.42 -50.01 36.14 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.012 0.525 . . . . 0.0 111.125 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.14 -27.29 29.1 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.178 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.495 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 78.2 t80 -61.35 -32.06 71.95 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.799 0.44 . . . . 0.0 111.892 -178.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -72.04 -21.93 61.46 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.519 0.328 . . . . 0.0 111.552 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -76.23 -18.55 58.98 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.7 mt -99.87 -44.87 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.205 -174.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.495 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 85.7 mm-40 -72.93 2.99 5.82 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.72 -15.82 59.51 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.542 0.337 . . . . 0.0 111.385 176.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.08 18.09 0.07 OUTLIER Glycine 0 C--N 1.343 0.94 0 CA-C-O 119.249 -0.751 . . . . 0.0 113.514 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -155.48 -173.28 4.48 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.348 1.074 . . . . 0.0 112.086 -170.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 m -143.33 5.26 1.44 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.177 0.591 . . . . 0.0 110.011 175.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.43 124.54 4.52 Favored Pre-proline 0 N--CA 1.45 -0.46 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -49.69 172.33 0.07 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 124.922 3.748 . . . . 0.0 114.218 175.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 CA--C 1.53 0.181 0 C-N-CA 124.324 1.05 . . . . 0.0 113.208 -176.628 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C5'-C4'-C3' 109.786 -3.809 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C5'-C4'-C3' 110.659 -3.227 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ' A' . . . . . 0.493 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 O4'-C1'-N19 111.264 3.064 . 0.046 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.493 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.065 0 P-O3'-C3' 122.204 2.087 . 0.089 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 1 O4'-C1'-N19 113.041 4.841 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C3'-C2'-C1' 104.525 3.361 . 0.184 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ' C' . . . . . 0.511 ' C6 ' " H5'" ' B' ' 42' ' ' ' C' . . . . . . . . 0 P--O5' 1.62 2.721 1 C3'-C2'-C1' 105.94 4.933 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.436 ' H62' HG23 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 O3'-P-O5' 97.717 -3.307 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 0 C5'-C4'-O4' 114.459 3.757 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.474 0.771 0 CA-C-O 119.537 -0.268 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mt -140.35 156.27 46.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 172.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -134.88 136.64 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -131.83 163.14 28.91 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.586 1.154 . . . . 0.0 109.701 -172.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -134.29 122.11 22.22 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 169.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -136.23 152.18 50.48 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.193 1.397 . . . . 0.0 108.068 -174.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -116.15 171.64 7.68 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 119.975 1.261 . . . . 0.0 111.145 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.451 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 11.1 m -60.31 129.19 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.349 -171.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.43 1.54 55.58 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.543 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -111.18 -178.58 3.5 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.076 0.938 . . . . 0.0 110.708 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 42.4 m -141.89 169.04 18.34 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -173.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.7 mm -141.52 165.95 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.893 2.077 . . . . 0.0 106.901 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -139.01 154.98 48.31 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 119.064 0.847 . . . . 0.0 112.685 -175.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -141.58 148.03 21.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 C-N-CA 124.435 1.094 . . . . 0.0 108.64 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.54 -140.16 29.8 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -129.22 10.57 5.82 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 123.811 0.844 . . . . 0.0 109.632 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -142.73 11.86 1.86 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.358 0.663 . . . . 0.0 111.621 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.49 146.24 34.49 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 118.742 0.701 . . . . 0.0 110.543 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 56.3 m -140.72 155.91 46.33 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.058 0.943 . . . . 0.0 108.831 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -134.52 145.54 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 9.5 m -138.96 151.15 46.64 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.412 HG13 ' HA ' ' C' ' 8' ' ' VAL . 0.9 OUTLIER -115.12 90.3 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.29 -25.48 67.65 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -172.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.451 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 159.8 -172.97 36.45 Favored Glycine 0 C--N 1.34 0.764 0 CA-C-N 118.066 0.394 . . . . 0.0 112.88 176.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.5 m -139.1 164.37 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 C-N-CA 122.97 0.508 . . . . 0.0 110.844 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -152.4 89.47 1.43 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.445 0.698 . . . . 0.0 109.258 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.06 -94.15 1.1 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -113.34 -16.36 12.5 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 173.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -67.13 148.36 51.95 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 67.5 t -141.36 109.9 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -83.57 121.42 27.2 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt -126.05 154.69 35.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -171.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.23 153.51 19.89 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.0 mt -140.75 139.59 34.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.25 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -138.15 105.62 5.55 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -174.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.55 156.74 45.38 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.671 0.789 . . . . 0.0 109.699 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.76 158.87 40.06 Favored 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 122.849 2.366 . . . . 0.0 110.9 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -69.26 -0.73 6.57 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.96 0.41 . . . . 0.0 110.082 172.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.02 -11.81 58.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.92 1.288 . . . . 0.0 110.788 173.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -137.74 167.06 23.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 C-N-CA 124.095 0.958 . . . . 0.0 109.28 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.77 160.13 15.71 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 122.298 -0.251 . . . . 0.0 110.842 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -158.08 131.63 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 174.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -155.58 173.59 16.48 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 29.8 ptt-85 -82.51 166.5 19.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 173.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -64.0 -9.61 16.89 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.956 0.503 . . . . 0.0 112.318 -176.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -78.64 -45.14 22.16 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.399 -0.813 . . . . 0.0 110.637 173.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -81.63 -29.02 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 O-C-N 122.332 -0.23 . . . . 0.0 110.939 -172.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.442 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 83.6 t80 -62.86 -27.46 69.35 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 122.251 -0.281 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -77.22 -21.31 54.01 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.142 -0.349 . . . . 0.0 111.643 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -73.26 -18.81 61.18 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 92.8 mt -99.39 -47.41 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 C-N-CA 123.163 0.585 . . . . 0.0 109.908 -173.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.442 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 70.9 mm-40 -68.62 2.66 2.29 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.97 -16.77 63.77 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.372 0.269 . . . . 0.0 111.117 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.72 18.54 0.07 OUTLIER Glycine 0 CA--C 1.526 0.768 0 CA-C-O 119.227 -0.763 . . . . 0.0 114.188 176.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -157.3 178.12 10.68 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.834 1.317 . . . . 0.0 112.769 -171.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.1 p -149.35 9.32 0.73 Allowed 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.446 1.098 . . . . 0.0 110.34 173.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.64 123.78 4.27 Favored Pre-proline 0 N--CA 1.453 -0.286 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -50.17 172.58 0.07 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 124.779 3.652 . . . . 0.0 114.535 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.53 0.204 0 C-N-CA 124.452 1.101 . . . . 0.0 113.045 -178.59 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 C5'-C4'-C3' 111.142 -2.906 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 O5'-C5'-C4' 113.097 2.069 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' ' A' . . . . . 0.52 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.997 0 O4'-C1'-N19 111.366 3.166 . 0.058 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' ' G' . . . . . 0.52 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 P-O3'-C3' 122.727 2.522 . 0.068 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 1 O4'-C1'-N19 113.468 5.268 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 C5'-C4'-C3' 110.63 -3.247 . 0.097 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' ' C' . . . . . 0.545 HO2' " C5'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 C3'-C2'-C1' 103.544 2.271 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.545 " C5'" HO2' ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.442 1 C4'-C3'-C2' 98.69 -4.01 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.922 0 C3'-C2'-C1' 104.59 3.434 . 0.067 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.409 ' C ' HD13 ' A' ' 3' ' ' ILE . 4.9 mt -136.05 152.76 51.23 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.531 ' CD1' " H4'" ' B' ' 42' ' ' ' C' . 4.4 mp -135.43 147.75 28.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 177.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -145.8 165.78 27.84 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.803 0.841 . . . . 0.0 109.123 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -137.55 86.1 2.16 Favored 'General case' 0 C--O 1.23 0.054 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 175.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -99.85 162.94 12.68 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.077 1.351 . . . . 0.0 109.058 -173.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -121.26 171.79 8.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 120.146 1.339 . . . . 0.0 112.096 175.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.499 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 9.1 m -59.5 134.51 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.894 -172.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.39 -1.11 62.06 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.034 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -105.4 -178.9 3.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 117.596 0.698 . . . . 0.0 110.227 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.9 m -144.28 168.3 20.39 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -173.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.0 mt -144.81 166.0 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 126.11 1.764 . . . . 0.0 106.982 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -141.16 157.46 45.24 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-N 119.069 0.85 . . . . 0.0 112.44 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.1 mt -141.89 150.88 18.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 124.451 1.1 . . . . 0.0 108.875 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.5 -141.97 30.28 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -128.66 10.85 6.14 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.603 0.761 . . . . 0.0 109.728 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -141.69 12.6 2.09 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.77 0.828 . . . . 0.0 111.87 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.55 146.77 33.45 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 CA-C-N 119.127 0.876 . . . . 0.0 110.858 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.6 m -140.4 155.48 46.72 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.208 1.003 . . . . 0.0 108.867 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.1 mm -135.43 148.18 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 m -141.71 154.5 45.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.412 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.1 tp -119.68 90.25 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.541 ' CD1' " H1'" ' D' ' 42' ' ' ' C' . 7.8 mt -66.05 -27.62 68.23 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.977 -0.452 . . . . 0.0 111.858 -172.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.499 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 160.65 -174.63 37.35 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 121.116 -0.564 . . . . 0.0 113.446 178.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.13 163.11 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.974 0.416 . . . . 0.0 111.345 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.7 t -154.46 111.35 3.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.738 0.815 . . . . 0.0 108.824 173.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.1 -100.46 0.71 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -117.7 -16.83 10.01 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.021 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -71.43 148.32 47.01 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.8 t -134.15 116.61 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -85.13 121.94 28.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -126.45 155.35 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 O-C-N 123.977 0.798 . . . . 0.0 109.274 -172.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.86 153.05 18.24 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt -140.64 139.72 34.58 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -177.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -140.38 106.47 5.22 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.51 157.43 44.88 Favored Pre-proline 0 N--CA 1.451 -0.407 0 C-N-CA 123.485 0.714 . . . . 0.0 109.539 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.65 159.13 46.58 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 123.194 2.596 . . . . 0.0 110.827 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -69.85 -0.56 7.45 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.201 0.524 . . . . 0.0 110.129 173.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.69 -10.4 56.05 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.086 1.354 . . . . 0.0 111.055 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -139.16 168.65 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.55 0.74 . . . . 0.0 109.704 -178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.22 155.86 19.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.996 0.427 . . . . 0.0 111.326 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.98 127.14 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -153.62 171.73 18.34 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.8 mtm105 -71.96 161.22 31.25 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 173.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' CD ' HE21 ' A' ' 49' ' ' GLN . 9.8 tm-20 -62.27 -21.4 65.18 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -73.47 -34.08 65.17 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.995 0.918 . . . . 0.0 111.838 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.18 -28.03 5.05 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -178.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.494 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 81.5 t80 -59.94 -31.27 69.7 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.637 0.375 . . . . 0.0 111.966 -177.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.4 HE21 ' CD ' ' A' ' 45' ' ' GLU . 75.5 mt-30 -69.94 -21.56 63.26 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.784 0.433 . . . . 0.0 111.932 -178.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -78.05 -18.57 55.64 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 122.945 0.498 . . . . 0.0 109.737 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.5 mt -99.96 -44.84 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 123.672 0.608 . . . . 0.0 110.473 -173.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.494 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 81.1 mm-40 -72.48 3.09 5.22 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.963 -0.46 . . . . 0.0 112.238 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.2 -15.33 62.34 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 122.786 0.434 . . . . 0.0 112.033 177.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.59 17.02 0.07 OUTLIER Glycine 0 CA--C 1.528 0.901 0 CA-C-O 119.607 -0.552 . . . . 0.0 113.646 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -156.03 -166.67 2.24 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.298 1.049 . . . . 0.0 111.217 -171.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.6 m -137.49 -7.5 1.72 Allowed 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 122.892 0.477 . . . . 0.0 111.046 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.02 95.52 2.37 Favored Pre-proline 0 N--CA 1.451 -0.424 0 C-N-CA 123.158 0.583 . . . . 0.0 109.897 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -52.74 170.28 0.29 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 124.138 3.225 . . . . 0.0 114.596 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.588 -179.857 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C5'-C4'-C3' 109.866 -3.756 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 C5'-C4'-C3' 110.805 -3.13 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ' A' . . . . . 0.505 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 O4'-C1'-N19 111.014 2.814 . 0.066 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.505 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.948 0 C3'-C2'-C1' 104.063 2.848 . 0.13 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 1 O4'-C1'-N19 113.313 5.113 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.961 0 C5'-C4'-C3' 109.74 -3.84 . 0.123 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ' C' . . . . . 0.531 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C3'-C2'-C1' 98.523 -3.308 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.479 " O4'" ' C6 ' ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.407 -3.806 0 O3'-P-O5' 98.612 -2.836 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . 0.479 ' C6 ' " O4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.419 0 C5'-C4'-C3' 111.189 -2.874 . 0.174 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.465 ' HE3' ' C2 ' ' D' ' 42' ' ' ' C' . 12.6 tpt . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 119.044 -0.503 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 mt -140.99 137.34 32.94 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.516 0.598 . . . . 0.0 110.611 176.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.465 ' CD1' " O4'" ' D' ' 42' ' ' ' C' . 0.7 OUTLIER -109.62 137.01 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 178.291 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -135.48 158.86 43.31 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.188 0.595 . . . . 0.0 110.788 -172.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m -134.31 134.05 41.41 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 168.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -142.6 161.84 37.02 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -125.08 166.66 15.99 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 119.194 0.906 . . . . 0.0 110.766 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.465 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.9 m -56.41 127.55 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.788 -170.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.23 -5.2 45.12 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 115.491 -0.777 . . . . 0.0 113.071 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -108.96 -178.9 3.7 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.182 0.991 . . . . 0.0 110.818 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 59.0 m -141.96 168.9 18.64 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -172.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 34.4 mm -139.14 164.96 24.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 126.987 2.115 . . . . 0.0 106.512 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -137.94 155.06 49.29 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.156 -0.965 . . . . 0.0 112.644 -176.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mt -140.91 148.01 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.093 0.957 . . . . 0.0 108.564 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.3 -140.82 35.5 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -129.08 10.33 5.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.698 0.799 . . . . 0.0 109.512 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -143.57 12.06 1.7 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.424 0.69 . . . . 0.0 111.594 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.84 145.36 35.82 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 118.902 0.774 . . . . 0.0 110.268 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 57.5 m -141.22 154.66 45.92 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.659 0.783 . . . . 0.0 108.949 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -134.68 143.74 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 40.0 m -139.14 146.3 40.46 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.416 HG13 ' HA ' ' C' ' 8' ' ' VAL . 0.9 OUTLIER -105.71 93.68 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.485 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -65.44 -27.51 68.57 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -173.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.465 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.08 -173.33 36.71 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-N 118.227 0.467 . . . . 0.0 112.677 177.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 m -137.74 163.01 31.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 CA-C-N 117.053 0.426 . . . . 0.0 111.095 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 64.9 m -150.53 89.76 1.59 Allowed 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 124.06 0.944 . . . . 0.0 108.773 176.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.03 -94.02 0.88 Allowed Glycine 0 C--N 1.339 0.698 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -113.88 -16.74 12.17 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 117.071 0.436 . . . . 0.0 109.841 173.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -68.96 150.4 47.75 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 73.4 t -140.49 112.7 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 105.976 -1.861 . . . . 0.0 105.976 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -83.58 127.61 33.87 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -133.74 154.74 39.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -171.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.16 154.05 20.12 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.0 mt -140.69 141.53 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -176.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -139.92 105.28 5.06 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.79 156.79 44.55 Favored Pre-proline 0 N--CA 1.452 -0.362 0 C-N-CA 123.385 0.674 . . . . 0.0 109.977 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.12 158.55 47.47 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 123.26 2.64 . . . . 0.0 110.94 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -72.39 -0.84 13.5 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.176 0.512 . . . . 0.0 110.582 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.76 -6.6 45.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.572 1.149 . . . . 0.0 110.984 174.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 20.7 m -137.46 168.6 20.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 123.284 0.634 . . . . 0.0 109.74 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.6 158.07 17.54 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.709 0.29 . . . . 0.0 111.567 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -157.93 127.75 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 173.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -154.36 174.52 14.73 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 123.54 0.736 . . . . 0.0 109.429 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -84.82 166.68 16.7 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 175.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -58.11 -22.71 52.04 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -172.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -73.5 -46.29 48.8 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 121.954 -0.467 . . . . 0.0 111.519 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.23 -25.53 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -176.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.47 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 78.6 t80 -61.79 -31.69 71.93 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 122.284 -0.26 . . . . 0.0 111.508 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -73.71 -21.49 60.21 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 122.195 -0.316 . . . . 0.0 111.697 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -76.27 -18.9 58.77 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 123.006 0.522 . . . . 0.0 109.611 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -99.68 -47.27 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.68 -174.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.47 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 74.2 mm-40 -68.57 3.0 2.02 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.02 -16.69 64.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.736 0.414 . . . . 0.0 111.351 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.06 16.04 0.06 OUTLIER Glycine 0 CA--C 1.529 0.933 0 CA-C-O 118.965 -0.908 . . . . 0.0 114.31 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -157.8 -176.66 6.06 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.156 1.478 . . . . 0.0 112.875 -171.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 11.7 p -144.53 10.19 1.41 Allowed 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 124.164 0.986 . . . . 0.0 110.828 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.04 121.44 3.71 Favored Pre-proline 0 N--CA 1.452 -0.344 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.78 -35.49 30.76 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 124.425 3.417 . . . . 0.0 114.195 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -173.192 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.413 " H4'" ' C5 ' ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C5'-C4'-C3' 110.455 -3.363 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.445 " H3'" ' C8 ' ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.657 1 C5'-C4'-C3' 108.908 -4.395 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' ' A' . . . . . 0.52 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.581 1 O4'-C1'-N19 112.493 4.293 . 0.124 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' ' G' . . . . . 0.52 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.265 0 C3'-C2'-C1' 103.551 2.279 . 0.107 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 1 O4'-C1'-N19 114.285 6.085 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' ' A' . . . . . 0.435 ' C8 ' HG12 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.995 0 O4'-C4'-C3' 109.138 2.599 . 0.222 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' ' C' . . . . . 0.541 " H1'" ' CD1' ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.408 -3.764 1 O4'-C1'-N19 112.577 4.377 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.569 " H4'" ' C5 ' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.188 1 P-O3'-C3' 124.699 4.166 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . 0.569 ' C5 ' " H4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 C5'-C4'-O4' 113.816 3.297 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 tpt . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -139.53 152.12 46.67 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -137.3 138.44 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.07 165.66 24.47 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.614 0.766 . . . . 0.0 110.105 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -116.77 149.07 40.54 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -175.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.66 154.38 44.29 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 123.957 0.903 . . . . 0.0 109.854 -174.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -110.17 159.22 17.55 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.349 0.595 . . . . 0.0 110.486 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.429 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 18.4 m -59.32 136.3 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.721 -176.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.62 0.37 66.98 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.399 -0.667 . . . . 0.0 112.608 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -107.62 -178.51 3.65 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.197 0.998 . . . . 0.0 110.2 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.9 m -141.0 168.1 20.6 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -172.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.5 mt -142.34 162.51 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 126.11 1.764 . . . . 0.0 106.33 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -138.22 153.87 49.11 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 121.737 -0.602 . . . . 0.0 111.746 -173.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.0 mt -141.57 146.84 22.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.78 -141.08 29.09 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -129.48 10.92 5.74 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.382 0.673 . . . . 0.0 110.189 176.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -139.36 11.25 2.55 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.61 0.764 . . . . 0.0 111.925 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.27 144.57 37.75 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 CA-C-N 119.105 0.866 . . . . 0.0 110.939 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.5 m -141.33 156.8 45.8 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mm -134.05 144.7 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.541 1.137 . . . . 0.0 107.983 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -142.11 120.82 12.62 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -80.23 103.65 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.75 -29.91 65.02 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.836 -0.166 . . . . 0.0 111.329 -175.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.429 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.28 -171.92 35.24 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 117.775 0.261 . . . . 0.0 112.48 177.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 m -132.95 163.58 37.54 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 CA-C-O 121.036 0.446 . . . . 0.0 111.367 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 t -151.02 89.41 1.53 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.008 0.923 . . . . 0.0 108.605 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.5 -102.85 1.33 Allowed Glycine 0 C--N 1.339 0.725 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 -177.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -105.69 -20.15 13.55 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 117.38 0.59 . . . . 0.0 109.561 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -66.98 147.58 53.04 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.9 t -136.66 115.04 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.1 ttt-85 -89.49 126.95 35.78 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -137.74 155.1 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -170.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.76 157.18 18.15 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 176.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.4 mt -140.23 143.18 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -176.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -140.15 107.15 5.43 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.42 156.97 42.46 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 123.817 0.847 . . . . 0.0 109.332 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.78 158.23 51.86 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.271 2.648 . . . . 0.0 111.117 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -71.38 -4.08 24.3 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.244 0.217 . . . . 0.0 110.471 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -69.66 -6.75 33.56 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.33 1.052 . . . . 0.0 111.17 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m -136.88 168.74 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.92 157.09 21.08 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.676 0.275 . . . . 0.0 111.069 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -155.56 129.43 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 176.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -155.71 173.07 17.27 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 123.389 0.676 . . . . 0.0 109.893 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -74.83 159.87 31.38 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 173.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -57.75 -25.21 60.12 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 122.237 -0.289 . . . . 0.0 111.206 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -68.49 -39.07 81.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.368 0.667 . . . . 0.0 111.584 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -86.21 -27.26 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.437 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 81.1 t80 -57.17 -29.86 64.01 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.725 0.41 . . . . 0.0 111.716 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -69.36 -21.18 63.83 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.0 0.52 . . . . 0.0 111.437 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -84.71 -22.43 29.75 Favored 'General case' 0 C--N 1.339 0.141 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.5 mm -73.06 -57.45 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.437 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 85.3 mm-40 -70.29 3.24 3.02 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.197 0.999 . . . . 0.0 112.391 -174.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.83 -13.85 62.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 122.738 0.415 . . . . 0.0 111.523 176.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.29 15.29 0.06 OUTLIER Glycine 0 CA--C 1.527 0.8 0 CA-C-O 119.475 -0.625 . . . . 0.0 113.447 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -157.72 -170.16 3.1 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.507 1.154 . . . . 0.0 112.045 -171.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.8 m -140.72 -3.21 1.3 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.483 0.713 . . . . 0.0 110.398 173.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.68 122.42 4.7 Favored Pre-proline 0 N--CA 1.451 -0.41 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -50.45 175.79 0.04 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 124.753 3.635 . . . . 0.0 113.528 172.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.532 0.272 0 C-N-CA 124.119 0.968 . . . . 0.0 113.095 -176.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.487 " H3'" ' C6 ' ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.625 1 C3'-C2'-C1' 105.172 4.08 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.568 H5'' ' C6 ' ' B' ' 37' ' ' ' C' . . . . . . . . 0 P--O5' 1.624 3.094 0 O4'-C1'-N19 111.606 3.406 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ' A' . . . . . 0.521 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.805 3.605 . 0.118 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.521 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 P-O3'-C3' 122.396 2.247 . 0.049 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . 0.413 " H4'" H5'' ' B' ' 41' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.58 1 O4'-C1'-N19 113.376 5.176 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ' A' . . . . . 0.413 H5'' " H4'" ' B' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.397 0 C5'-C4'-C3' 110.206 -3.529 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ' C' . . . . . 0.53 " H4'" " H5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.932 0 N19-C1'-C2' 107.406 -3.746 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.53 " H5'" " H4'" ' B' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 N19-C1'-C2' 119.051 3.532 . 0.01 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . 0.525 " H1'" ' C5 ' ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.61 2 C5'-C4'-C3' 106.934 -5.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpt . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 mt -136.25 155.24 50.4 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.492 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 4.5 mp -135.83 146.97 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.1 mt -146.71 165.66 28.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.123 0.969 . . . . 0.0 110.068 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -139.13 100.07 3.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 173.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.51 164.24 22.37 Favored 'General case' 0 C--O 1.227 -0.107 0 C-N-CA 122.43 0.292 . . . . 0.0 110.444 176.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -115.35 175.54 5.47 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 123.007 0.523 . . . . 0.0 111.492 -169.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.74 142.74 11.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.55 -9.06 75.09 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.504 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . 0.468 ' HG3' ' H ' ' C' ' 11' ' ' SER . 8.3 tp10 -85.7 179.72 7.02 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 117.705 0.752 . . . . 0.0 110.249 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' SER . . . . . 0.468 ' H ' ' HG3' ' C' ' 10' ' ' GLU . 67.9 m -148.05 164.29 34.29 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.272 0.629 . . . . 0.0 110.983 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 51.8 mt -143.29 164.13 15.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -138.38 155.6 48.37 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 121.36 -0.837 . . . . 0.0 112.651 -175.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 49.2 mt -141.55 148.26 21.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 C-N-CA 124.212 1.005 . . . . 0.0 108.668 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.36 -141.04 38.81 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -129.75 10.44 5.56 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.652 0.781 . . . . 0.0 109.482 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -143.12 11.28 1.76 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.453 0.701 . . . . 0.0 111.645 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.07 144.69 37.4 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 CA-C-N 118.984 0.811 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 49.1 m -140.24 154.58 46.91 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -130.43 144.38 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 41.0 m -142.37 146.87 35.4 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -105.87 103.32 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.07 -24.68 62.37 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.049 -0.661 . . . . 0.0 109.96 -177.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.48 -169.57 32.24 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 112.239 -0.344 . . . . 0.0 112.239 173.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 15.5 m -131.84 164.9 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 CA-C-O 121.16 0.505 . . . . 0.0 111.246 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.2 m -150.24 85.26 1.39 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -129.72 21.09 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -175.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -77.99 -13.29 59.93 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.05 0.425 . . . . 0.0 110.335 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.5 148.99 28.93 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 85.8 t -139.58 118.88 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 -175.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -95.33 126.57 40.73 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.3 155.35 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.249 -169.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.47 155.14 20.7 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -140.19 143.36 29.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -175.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -139.15 105.28 5.22 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -174.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.75 157.61 43.86 Favored Pre-proline 0 N--CA 1.45 -0.435 0 C-N-CA 123.908 0.883 . . . . 0.0 109.594 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' C' ' 39' ' ' ASP . 35.1 Cg_endo -62.98 158.09 45.24 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 123.194 2.596 . . . . 0.0 110.752 176.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -68.39 -0.68 5.18 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-O 121.223 0.535 . . . . 0.0 110.222 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' C' ' 37' ' ' PRO . 23.3 t70 -68.21 -11.78 59.86 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.219 1.408 . . . . 0.0 111.144 173.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 m -139.04 168.36 19.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 123.477 0.711 . . . . 0.0 110.032 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.33 158.64 16.72 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.921 -177.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -158.25 126.9 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -158.73 170.11 22.88 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 120.847 0.356 . . . . 0.0 111.429 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . 0.409 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 24.8 ttp-105 -68.68 153.11 44.38 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 169.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -13.68 32.32 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.588 0.631 . . . . 0.0 111.9 -177.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . 0.409 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 45.8 tt0 -70.94 -36.92 72.82 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.911 0.484 . . . . 0.0 110.566 177.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 mm -91.31 -25.23 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.443 ' HA ' ' CG1' ' C' ' 51' ' ' ILE . 78.3 t80 -59.67 -28.4 67.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.05 0.54 . . . . 0.0 111.549 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -70.38 -19.54 63.01 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.882 0.473 . . . . 0.0 111.277 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -86.26 -22.04 27.04 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 174.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . 0.443 ' CG1' ' HA ' ' C' ' 48' ' ' TYR . 9.0 mm -72.61 -56.43 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.4 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 86.2 mm-40 -70.37 3.24 3.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.056 0.942 . . . . 0.0 112.253 -174.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.84 -13.15 62.13 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.755 0.422 . . . . 0.0 111.467 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.26 15.37 0.05 OUTLIER Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.404 -0.665 . . . . 0.0 113.78 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -158.36 -168.39 2.44 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.483 1.141 . . . . 0.0 111.489 -171.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 5.6 m -141.98 -2.97 1.13 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.579 0.352 . . . . 0.0 110.995 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.28 119.38 2.91 Favored Pre-proline 0 N--CA 1.452 -0.374 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.31 154.86 5.41 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 124.207 3.271 . . . . 0.0 113.453 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 CA--C 1.535 0.372 0 C-N-CA 124.305 1.042 . . . . 0.0 112.509 176.426 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C5'-C4'-C3' 110.557 -3.296 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.916 0 C5'-C4'-C3' 110.86 -3.093 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' ' A' . . . . . 0.416 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.872 1 C5'-C4'-C3' 109.432 -4.045 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' ' G' . . . . . 0.416 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C3'-C2'-C1' 103.567 2.297 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 1 O4'-C1'-N19 112.926 4.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 C5'-C4'-C3' 109.55 -3.966 . 0.107 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' ' C' . . . . . 0.492 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.004 0 O4'-C1'-N19 112.033 3.833 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.465 " O4'" ' C6 ' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.406 -3.912 0 O3'-P-O5' 99.19 -2.531 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . 0.465 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C5'-C4'-C3' 110.758 -3.161 . 0.189 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 tpt . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mt -136.84 156.12 48.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.48 HG23 ' H62' ' B' ' 43' ' ' ' A' . 4.9 mp -134.42 145.26 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 174.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -143.54 165.84 26.46 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.998 0.919 . . . . 0.0 109.441 -177.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.33 96.41 3.72 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 173.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -98.64 163.09 12.79 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.429 1.491 . . . . 0.0 108.508 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -130.24 169.43 15.4 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 119.61 1.096 . . . . 0.0 110.619 171.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.442 ' HA ' HG13 ' A' ' 22' ' ' ILE . 7.7 m -58.45 133.06 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -169.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.68 -0.51 61.17 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.678 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -106.22 -179.12 3.85 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.244 1.022 . . . . 0.0 110.96 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.1 m -144.23 168.41 20.13 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -173.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.4 mt -141.21 165.71 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 125.853 1.661 . . . . 0.0 106.632 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -138.39 153.65 48.91 Favored 'General case' 0 C--O 1.228 -0.062 0 CA-C-N 118.695 0.68 . . . . 0.0 111.712 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.7 mt -140.5 147.32 23.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.16 -141.23 34.17 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -130.02 10.96 5.5 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.147 0.579 . . . . 0.0 110.206 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -139.66 12.18 2.5 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.785 0.834 . . . . 0.0 111.826 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.77 146.92 33.37 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-N 119.059 0.845 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.2 m -141.11 155.74 46.08 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.737 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.1 mm -135.34 146.33 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.5 m -142.65 146.59 34.62 Favored 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.442 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.2 tp -105.52 96.33 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.81 -27.04 66.39 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.595 -172.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.439 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 156.04 -170.82 33.82 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 112.008 -0.437 . . . . 0.0 112.008 176.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -133.33 161.21 41.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 CA-C-N 117.446 0.623 . . . . 0.0 112.069 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.2 m -150.04 89.47 1.6 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.165 1.386 . . . . 0.0 107.834 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.72 -137.3 28.58 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 -175.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -72.3 -18.29 61.8 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.856 0.828 . . . . 0.0 109.96 175.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.47 149.55 45.74 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -140.58 116.22 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -86.26 123.38 31.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -130.18 155.13 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -172.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.17 159.33 23.04 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.9 mt -139.97 142.36 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.404 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -139.97 105.83 5.17 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -176.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.03 157.26 43.44 Favored Pre-proline 0 N--CA 1.452 -0.375 0 C-N-CA 123.795 0.838 . . . . 0.0 109.46 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.64 158.78 48.36 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.181 2.587 . . . . 0.0 110.793 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -69.47 -0.8 7.07 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 121.474 0.654 . . . . 0.0 110.196 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -66.67 -10.75 49.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.945 1.298 . . . . 0.0 111.015 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -137.8 168.56 20.37 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 C-N-CA 123.48 0.712 . . . . 0.0 109.766 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.93 153.92 22.88 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.287 0.235 . . . . 0.0 111.012 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -156.11 124.58 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -152.51 168.89 24.06 Favored 'General case' 0 N--CA 1.458 -0.032 0 C-N-CA 122.789 0.436 . . . . 0.0 110.248 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 ttp85 -72.18 155.18 40.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -57.69 -23.75 53.24 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.521 0.201 . . . . 0.0 110.68 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -68.23 -50.53 53.39 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.179 0.592 . . . . 0.0 110.877 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.0 mm -74.75 -26.96 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 122.754 0.421 . . . . 0.0 110.838 -174.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.471 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 83.7 t80 -61.48 -28.42 69.28 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.278 0.631 . . . . 0.0 111.773 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -73.54 -21.47 60.36 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.778 0.431 . . . . 0.0 111.696 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -76.64 -19.18 58.08 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.8 mt -99.43 -47.9 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.592 -172.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.471 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 72.4 mm-40 -69.41 3.14 2.46 Favored 'General case' 0 CA--C 1.528 0.104 0 O-C-N 121.873 -0.517 . . . . 0.0 111.738 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.49 -16.39 63.61 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 122.251 -0.28 . . . . 0.0 111.387 174.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.02 17.78 0.07 OUTLIER Glycine 0 CA--C 1.528 0.872 0 CA-C-O 118.998 -0.89 . . . . 0.0 113.791 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -158.1 -179.26 7.96 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.139 1.469 . . . . 0.0 112.951 -170.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.1 p -146.67 8.18 0.99 Allowed 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.324 1.05 . . . . 0.0 110.474 172.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.93 124.79 4.75 Favored Pre-proline 0 N--CA 1.452 -0.366 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -50.29 171.4 0.1 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 124.438 3.425 . . . . 0.0 114.389 174.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.455 -0.176 0 C-N-CA 124.018 0.927 . . . . 0.0 112.635 -177.717 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.011 0 C5'-C4'-C3' 110.535 -3.31 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 O5'-C5'-C4' 112.892 1.923 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ' A' . . . . . 0.466 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.809 0 O4'-C1'-N19 111.586 3.386 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.466 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.928 0 P-O3'-C3' 122.194 2.079 . 0.123 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 1 O4'-C1'-N19 112.537 4.337 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C5'-C4'-C3' 110.291 -3.473 . 0.114 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ' C' . . . . . 0.402 H5'' HD12 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C4'-C3'-C2' 99.75 -2.95 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.48 ' H62' HG23 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.877 1 O4'-C1'-N19 112.512 4.312 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.824 0 C5'-C4'-O4' 113.253 2.895 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.41 ' CD2' " H1'" ' D' ' 39' ' ' ' G' . 4.2 mt -139.97 152.24 46.15 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 176.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -136.87 139.69 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -131.59 162.41 30.4 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.744 1.218 . . . . 0.0 108.394 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -136.82 87.57 2.3 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 172.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.56 HH21 HG21 ' C' ' 22' ' ' ILE . 8.8 ttp180 -104.69 177.25 4.9 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 125.352 1.461 . . . . 0.0 109.946 -173.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -134.76 170.86 15.2 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 118.668 0.667 . . . . 0.0 111.959 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.455 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.2 m -56.07 134.08 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.921 -173.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.12 -11.93 63.81 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 115.556 -0.747 . . . . 0.0 113.021 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -88.89 179.29 6.22 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.291 1.045 . . . . 0.0 111.504 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -145.95 165.35 29.22 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 36.8 mm -141.99 167.56 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.928 1.691 . . . . 0.0 107.76 178.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -135.86 153.5 51.46 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-O 121.136 0.493 . . . . 0.0 111.922 -177.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.6 mt -138.96 147.48 24.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.93 -139.35 33.04 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -130.52 11.78 5.35 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.337 0.655 . . . . 0.0 110.292 176.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -140.18 11.15 2.37 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.869 0.867 . . . . 0.0 112.007 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.22 145.28 35.57 Favored 'Isoleucine or valine' 0 C--N 1.342 0.25 0 CA-C-N 118.942 0.792 . . . . 0.0 110.586 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 51.3 m -140.53 153.35 46.13 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.817 0.847 . . . . 0.0 108.828 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -133.66 144.89 34.55 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 38.6 m -140.19 147.01 39.47 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.56 HG21 HH21 ' C' ' 6' ' ' ARG . 2.4 tp -105.27 97.54 5.73 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.58 -27.32 65.95 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -173.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.455 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 157.07 -173.2 34.67 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 118.02 0.373 . . . . 0.0 112.481 175.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.5 m -135.11 163.36 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 117.157 0.478 . . . . 0.0 111.476 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 29.1 t -151.85 89.81 1.49 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.873 0.869 . . . . 0.0 109.269 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.15 -92.7 0.95 Allowed Glycine 0 C--N 1.338 0.645 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -113.43 -19.02 11.86 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 122.858 0.463 . . . . 0.0 109.99 173.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -68.97 147.28 51.86 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -138.01 106.53 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -82.48 125.63 31.31 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mt -128.89 155.34 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -171.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.42 154.27 19.92 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 57.1 mt -140.57 144.08 27.94 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -140.49 107.11 5.33 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.82 157.02 41.15 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 123.738 0.815 . . . . 0.0 109.969 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.12 158.08 53.89 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.152 2.568 . . . . 0.0 111.231 175.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -71.91 -1.73 15.41 Favored 'General case' 0 CA--C 1.524 -0.043 0 N-CA-C 110.48 -0.192 . . . . 0.0 110.48 175.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.12 -6.52 34.6 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.06 0.944 . . . . 0.0 111.028 173.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.59 168.65 19.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 123.882 0.873 . . . . 0.0 109.198 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . 0.4 ' HB1' ' HE2' ' C' ' 43' ' ' HIS . . . -111.53 155.91 22.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.154 -0.341 . . . . 0.0 111.078 -175.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -156.01 127.42 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 174.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . 0.4 ' HE2' ' HB1' ' C' ' 41' ' ' ALA . 7.9 m-70 -156.7 171.49 20.27 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 124.123 0.969 . . . . 0.0 108.952 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -82.52 166.03 19.64 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -57.33 -24.22 53.74 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -172.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -69.3 -47.18 65.25 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.869 0.366 . . . . 0.0 111.127 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm -77.62 -25.9 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.383 -172.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.426 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 80.0 t80 -60.56 -30.36 69.74 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 122.528 0.331 . . . . 0.0 111.553 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -72.91 -21.83 60.84 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.212 -0.305 . . . . 0.0 111.427 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -82.09 -18.52 42.74 Favored 'General case' 0 CA--C 1.523 -0.091 0 C-N-CA 123.048 0.539 . . . . 0.0 109.97 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 90.6 mt -99.2 -35.32 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 C-N-CA 123.312 0.645 . . . . 0.0 110.338 -173.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.426 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 77.7 mm-40 -82.99 3.29 30.77 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.258 0.223 . . . . 0.0 110.599 175.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.82 -20.38 65.75 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.81 27.49 0.06 OUTLIER Glycine 0 CA--C 1.528 0.89 0 CA-C-O 118.735 -1.036 . . . . 0.0 114.11 178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.41 -30.28 0.2 Allowed 'General case' 0 C--N 1.338 0.091 0 N-CA-C 115.282 1.586 . . . . 0.0 115.282 -173.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 3.9 m 32.87 45.75 0.07 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.933 0.893 . . . . 0.0 112.67 -171.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.18 69.46 18.0 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 123.168 0.587 . . . . 0.0 110.758 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -49.05 169.27 0.1 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 124.506 3.471 . . . . 0.0 114.603 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.531 0.219 0 C-N-CA 124.25 1.02 . . . . 0.0 113.181 -176.395 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C5'-C4'-C3' 111.066 -2.956 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.424 " H4'" ' C8 ' ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 O5'-C5'-C4' 113.735 2.525 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' ' A' . . . . . 0.495 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.88 0 O4'-C1'-N19 110.55 2.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' ' G' . . . . . 0.495 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.974 0 C3'-C2'-C1' 103.381 2.09 . 0.092 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 1 O4'-C1'-N19 112.84 4.64 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.396 0 C5'-C4'-C3' 109.895 -3.736 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 1 O4'-C1'-N19 112.353 4.153 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 C4'-C3'-C2' 100.562 -2.138 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 N19-C1'-C2' 108.629 -2.982 . 0.408 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mt -138.39 151.18 47.25 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.513 ' CD1' " H4'" ' B' ' 42' ' ' ' C' . 4.5 mp -133.79 146.77 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 177.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -146.84 166.24 27.28 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 123.877 0.871 . . . . 0.0 109.838 -175.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -130.84 96.26 4.03 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 172.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -104.31 162.02 13.56 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.33 1.052 . . . . 0.0 108.444 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -124.36 168.77 12.56 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 119.594 1.088 . . . . 0.0 111.058 175.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.437 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.2 m -57.05 135.23 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.533 -170.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.03 -3.01 66.63 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.616 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -102.53 -179.47 3.98 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 117.919 0.859 . . . . 0.0 110.426 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.7 m -142.69 168.24 20.18 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-O 121.553 0.692 . . . . 0.0 112.785 -173.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -144.01 165.57 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.899 1.68 . . . . 0.0 106.68 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -141.5 156.97 45.7 Favored 'General case' 0 N--CA 1.461 0.081 0 CA-C-N 118.979 0.809 . . . . 0.0 112.11 -175.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.1 mt -141.4 149.72 20.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 123.95 0.9 . . . . 0.0 108.911 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.62 -140.41 33.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -129.56 10.64 5.67 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.549 0.74 . . . . 0.0 110.305 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -141.36 11.5 2.13 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 123.897 0.879 . . . . 0.0 112.035 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -127.77 146.13 33.93 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 CA-C-N 119.419 1.008 . . . . 0.0 110.924 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.7 m -140.51 155.89 46.5 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.897 0.879 . . . . 0.0 108.87 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -136.35 147.72 27.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 C-N-CA 124.514 1.125 . . . . 0.0 108.113 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -142.64 146.33 34.38 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.422 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.2 tp -105.41 90.77 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mt -62.96 -29.48 70.84 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -172.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.437 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.55 -170.03 35.72 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-N 118.407 0.549 . . . . 0.0 112.238 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -135.33 160.91 40.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 117.112 0.456 . . . . 0.0 111.436 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -150.25 89.37 1.58 Allowed 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.23 -135.01 29.31 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -74.15 -19.14 60.66 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 117.893 0.846 . . . . 0.0 109.999 176.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.4 150.19 46.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.5 t -139.46 119.28 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -85.86 129.15 34.91 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -133.3 155.15 40.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -171.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.91 154.69 21.26 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.5 mt -140.31 142.87 30.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -140.46 107.02 5.31 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.5 157.63 44.61 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.78 0.832 . . . . 0.0 109.241 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.54 159.4 44.77 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.948 2.432 . . . . 0.0 111.108 175.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -70.68 -0.37 8.63 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-O 121.094 0.473 . . . . 0.0 110.014 172.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.45 -11.57 58.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.837 1.255 . . . . 0.0 110.758 173.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -138.98 168.62 18.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.203 1.001 . . . . 0.0 109.609 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.13 157.08 20.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 122.278 -0.264 . . . . 0.0 111.211 -176.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -155.88 127.6 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -155.03 173.51 16.47 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 122.906 0.482 . . . . 0.0 110.445 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -70.04 156.4 39.21 Favored 'General case' 0 N--CA 1.458 -0.061 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 174.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -58.23 -23.31 55.4 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.627 0.251 . . . . 0.0 110.786 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -68.6 -48.63 63.65 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.087 0.555 . . . . 0.0 110.663 178.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.4 mm -76.59 -25.64 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 CA-C-O 120.844 0.354 . . . . 0.0 110.371 -174.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.482 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 80.3 t80 -61.38 -28.41 69.22 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.452 0.701 . . . . 0.0 111.535 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -73.3 -21.61 60.54 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 121.98 -0.45 . . . . 0.0 111.677 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -76.5 -19.19 58.24 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.6 mt -99.31 -46.6 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 C-N-CA 122.774 0.43 . . . . 0.0 110.607 -172.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.482 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 75.6 mm-40 -69.48 2.26 3.26 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 122.102 -0.374 . . . . 0.0 111.892 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.05 -16.26 63.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 122.698 0.399 . . . . 0.0 111.443 174.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.55 19.21 0.07 OUTLIER Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.082 -0.843 . . . . 0.0 114.572 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -159.16 -175.92 5.53 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.85 1.325 . . . . 0.0 112.705 -170.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.3 p -144.58 14.9 1.6 Allowed 'General case' 0 C--O 1.231 0.106 0 C-N-CA 124.573 1.149 . . . . 0.0 110.955 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.84 125.29 6.22 Favored Pre-proline 0 N--CA 1.452 -0.366 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -45.9 -31.52 8.24 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 124.786 3.657 . . . . 0.0 114.277 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.446 -0.647 0 CA-C-O 120.883 0.373 . . . . 0.0 110.582 -175.866 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C5'-C4'-C3' 110.303 -3.464 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 O4'-C1'-N19 110.864 2.664 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ' A' . . . . . 0.565 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 110.974 2.774 . 0.046 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.565 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 P-O3'-C3' 122.489 2.324 . 0.079 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 2 O4'-C1'-N19 114.969 6.769 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.971 0 C5'-C4'-C3' 109.597 -3.935 . 0.135 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ' C' . . . . . 0.513 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 O4'-C1'-N19 111.735 3.535 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.484 " O4'" ' C6 ' ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.405 -3.963 0 O3'-P-O5' 99.774 -2.224 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . 0.484 ' C6 ' " O4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C5'-C4'-C3' 110.901 -3.066 . 0.177 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.4 tpt . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 119.434 -0.317 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mt -136.92 153.33 50.75 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.446 HD12 " C5'" ' D' ' 42' ' ' ' C' . 4.5 mp -138.29 146.15 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.3 mt -145.53 167.1 23.83 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.836 0.854 . . . . 0.0 109.639 -176.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -137.07 90.31 2.52 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -104.68 166.37 10.43 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 124.986 1.314 . . . . 0.0 109.591 -175.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -124.71 171.0 10.44 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 118.866 0.757 . . . . 0.0 111.589 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.477 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.4 m -56.51 132.43 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.372 -170.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.14 -15.11 55.11 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.206 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -86.01 177.72 7.49 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.153 0.977 . . . . 0.0 111.618 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -145.99 163.74 34.26 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.149 0.58 . . . . 0.0 111.347 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 40.6 mm -141.54 165.85 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 125.986 1.714 . . . . 0.0 107.069 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -137.92 154.63 49.41 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 118.982 0.81 . . . . 0.0 112.353 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 48.4 mt -141.09 148.28 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.049 0.94 . . . . 0.0 108.624 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.0 -140.68 38.39 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -129.99 10.59 5.47 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 123.758 0.823 . . . . 0.0 109.658 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -142.31 11.4 1.93 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.343 0.657 . . . . 0.0 111.762 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -128.72 147.25 33.19 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 CA-C-N 118.83 0.741 . . . . 0.0 110.585 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 35.6 m -141.03 157.26 45.56 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -135.05 148.05 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 27.4 m -143.81 145.2 32.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.422 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.3 tp -106.06 95.68 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.9 -28.53 66.76 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.199 -0.313 . . . . 0.0 111.519 -172.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.477 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.75 -173.6 37.28 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 117.918 0.326 . . . . 0.0 112.793 178.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -133.66 161.46 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-O 121.17 0.51 . . . . 0.0 111.58 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -150.2 89.26 1.57 Allowed 'General case' 0 C--O 1.231 0.082 0 C-N-CA 124.692 1.197 . . . . 0.0 108.491 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.33 -102.97 1.24 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -106.68 -19.14 13.75 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 117.198 0.499 . . . . 0.0 109.702 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -69.54 146.99 51.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -136.17 117.73 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -79.3 117.94 20.77 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 176.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -124.9 153.26 31.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -176.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.44 156.44 21.84 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.8 mt -140.79 139.09 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -135.2 98.63 4.03 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.32 0.581 . . . . 0.0 109.805 -173.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.37 153.98 59.89 Favored Pre-proline 0 N--CA 1.448 -0.566 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.761 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.51 152.18 78.9 Favored 'Trans proline' 0 N--CA 1.443 -1.466 0 C-N-CA 122.213 1.942 . . . . 0.0 110.049 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -7.01 9.42 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 121.217 0.532 . . . . 0.0 110.995 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.69 -9.34 19.17 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.702 1.601 . . . . 0.0 112.04 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -133.81 167.56 26.02 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.19 153.6 20.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.558 -174.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -158.84 129.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 123.173 0.589 . . . . 0.0 109.5 174.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -155.37 173.14 17.08 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.39 0.676 . . . . 0.0 109.548 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -76.62 166.73 22.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -59.57 -25.12 64.31 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -174.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -66.67 -52.84 40.32 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 120.878 0.371 . . . . 0.0 110.669 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.3 mm -73.02 -30.18 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.556 -173.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -56.67 -27.89 59.6 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -63.34 -14.23 47.7 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.335 0.654 . . . . 0.0 112.063 -177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -86.89 -41.93 13.61 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.056 0.389 . . . . 0.0 110.489 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.41 -63.69 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 C-N-CA 125.319 1.448 . . . . 0.0 113.978 -168.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.46 0.44 8.34 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.325 0.65 . . . . 0.0 112.546 -176.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.43 -16.78 62.98 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.712 -0.617 . . . . 0.0 111.4 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.63 26.92 0.4 Allowed Glycine 0 CA--C 1.524 0.649 0 CA-C-O 118.84 -0.978 . . . . 0.0 113.425 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.88 -30.84 0.35 Allowed 'General case' 0 C--O 1.23 0.074 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -172.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 7.1 m 44.18 22.7 0.05 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.0 0.92 . . . . 0.0 113.193 -173.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.33 94.67 2.36 Favored Pre-proline 0 N--CA 1.453 -0.294 0 C-N-CA 123.388 0.675 . . . . 0.0 109.548 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -50.2 152.28 8.25 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.819 3.013 . . . . 0.0 114.12 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 CA--C 1.538 0.513 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 170.701 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 C4'-C3'-C2' 99.187 -3.513 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C5'-C4'-C3' 111.438 -2.708 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' ' A' . . . . . 0.546 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 O4'-C1'-N19 110.573 2.373 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' ' G' . . . . . 0.546 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C3'-C2'-C1' 103.577 2.307 . 0.109 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 1 O4'-C1'-N19 113.252 5.052 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.36 0 C3'-C2'-C1' 104.614 3.46 . 0.151 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' ' C' . . . . . 0.604 HO2' " C3'" ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.987 0 O5'-C5'-C4' 115.463 3.759 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.535 H5'' " C3'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.053 2 O4'-C1'-N19 114.136 5.936 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . 0.604 " C3'" HO2' ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 C5'-C4'-O4' 114.092 3.494 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.507 -0.282 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 mt -140.53 151.44 44.76 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.674 0.389 . . . . 0.0 110.103 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.435 ' CD1' ' C8 ' ' B' ' 41' ' ' ' A' . 5.0 mp -131.64 145.41 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -146.69 165.79 28.53 Favored 'General case' 0 C--O 1.23 0.075 0 C-N-CA 123.81 0.844 . . . . 0.0 110.449 -173.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.94 96.62 3.96 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-O 121.656 0.741 . . . . 0.0 109.579 173.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -99.22 163.04 12.72 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.168 1.787 . . . . 0.0 108.747 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -127.54 168.81 14.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.895 1.225 . . . . 0.0 110.568 171.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.463 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 8.3 m -57.61 133.66 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 121.491 0.662 . . . . 0.0 111.999 -170.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.88 -1.06 63.04 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.581 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -105.98 179.4 4.28 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 117.944 0.872 . . . . 0.0 110.341 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.1 m -142.75 168.53 19.49 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -172.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.7 mt -142.79 165.69 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.035 1.734 . . . . 0.0 106.788 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -139.85 155.24 47.33 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 119.393 0.997 . . . . 0.0 112.082 -175.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.4 mt -140.31 148.11 22.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 123.969 0.907 . . . . 0.0 108.943 177.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.71 -138.97 32.8 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -129.71 10.26 5.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.11 0.564 . . . . 0.0 109.884 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -140.83 10.99 2.23 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 123.367 0.667 . . . . 0.0 111.67 -177.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -129.32 145.56 35.56 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 CA-C-N 118.993 0.815 . . . . 0.0 110.418 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.4 m -140.76 156.45 46.18 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.6 mm -134.76 148.8 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.4 m -144.01 147.24 33.61 Favored 'General case' 0 N--CA 1.457 -0.086 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.431 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.1 tp -107.19 92.26 2.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.3 -26.46 68.07 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -173.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.69 -173.16 36.38 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 118.15 0.432 . . . . 0.0 112.856 175.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -137.38 162.1 33.58 Favored 'Isoleucine or valine' 0 C--N 1.34 0.164 0 C-N-CA 122.696 0.398 . . . . 0.0 110.966 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -150.47 89.57 1.58 Allowed 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.887 0.875 . . . . 0.0 108.658 176.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.49 -102.47 1.5 Allowed Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 -177.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -105.42 -15.94 14.88 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 117.339 0.57 . . . . 0.0 109.68 174.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -69.28 147.31 51.37 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -141.21 109.54 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -85.16 124.39 31.77 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -128.61 155.42 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -171.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.24 155.5 20.39 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 109.791 -1.323 . . . . 0.0 109.791 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.1 mt -140.39 131.43 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -130.45 99.38 4.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.284 0.564 . . . . 0.0 110.052 -173.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.34 154.78 64.37 Favored Pre-proline 0 N--CA 1.448 -0.572 0 C-N-CA 124.143 0.977 . . . . 0.0 108.562 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.473 ' C ' ' H ' ' A' ' 39' ' ' ASP . 21.8 Cg_endo -60.08 154.96 47.72 Favored 'Trans proline' 0 N--CA 1.443 -1.457 0 C-N-CA 122.13 1.887 . . . . 0.0 109.985 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.85 -3.11 2.19 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.039 0.447 . . . . 0.0 109.903 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.473 ' H ' ' C ' ' A' ' 37' ' ' PRO . 19.1 t70 -70.09 -13.58 62.27 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.984 2.114 . . . . 0.0 112.48 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.57 167.51 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.113 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.9 150.84 22.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.676 0.274 . . . . 0.0 110.963 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.47 128.6 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 174.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -153.98 173.15 16.37 Favored 'General case' 0 CA--C 1.527 0.081 0 C-N-CA 122.927 0.491 . . . . 0.0 109.906 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.2 mtm105 -75.14 162.8 28.19 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.68 -23.5 64.89 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.317 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -71.84 -34.5 69.33 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.723 0.409 . . . . 0.0 111.463 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -91.31 -30.22 4.79 Favored 'Isoleucine or valine' 0 C--N 1.337 0.057 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -176.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -55.55 -28.49 55.19 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -63.35 -13.21 36.69 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 124.026 0.93 . . . . 0.0 112.427 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -86.48 -38.96 16.75 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 118.075 0.398 . . . . 0.0 110.797 173.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -63.8 -63.97 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.064 0 C-N-CA 124.155 0.982 . . . . 0.0 113.237 -168.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -1.76 3.2 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -176.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -14.86 62.99 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 118.222 0.464 . . . . 0.0 110.729 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.03 21.84 0.85 Allowed Glycine 0 CA--C 1.526 0.722 0 CA-C-O 119.506 -0.608 . . . . 0.0 112.799 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -154.68 179.38 9.12 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.406 1.103 . . . . 0.0 112.881 -169.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 42.1 p -145.13 3.13 1.03 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.539 0.735 . . . . 0.0 110.632 175.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.32 79.29 5.02 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.741 0.816 . . . . 0.0 109.88 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -46.71 -37.31 20.7 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 124.377 3.385 . . . . 0.0 114.162 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.1 t0 . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -176.051 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.427 H5'' ' C6 ' ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 C5'-C4'-C3' 110.873 -3.085 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.408 ' C6 ' " H5'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.033 0 O4'-C1'-N19 110.254 2.054 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ' A' . . . . . 0.515 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.777 1 O4'-C1'-N19 112.212 4.012 . 0.04 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.515 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 C3'-C2'-C1' 103.644 2.382 . 0.096 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.451 3 O4'-C1'-N19 115.923 7.723 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ' A' . . . . . 0.435 ' C8 ' ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 C5'-C4'-C3' 110.823 -3.118 . 0.141 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ' C' . . . . . 0.529 " H1'" ' CD1' ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 O4'-C1'-N19 111.805 3.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.518 " O4'" " H3'" ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.409 -3.681 0 O3'-P-O5' 99.379 -2.432 OUTLIER-EPSILON 0.141 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . 0.518 " H3'" " O4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.288 1 P-O3'-C3' 125.574 4.895 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mt -140.35 156.06 46.56 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.442 HG23 ' H62' ' D' ' 43' ' ' ' A' . 4.8 mp -137.27 147.59 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 176.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -145.26 165.61 27.91 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.919 0.888 . . . . 0.0 110.087 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.38 96.63 3.3 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.36 178.64 4.5 Favored 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 123.894 0.878 . . . . 0.0 109.325 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -128.67 172.42 11.25 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.877 0.308 . . . . 0.0 110.975 172.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.413 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 16.9 m -57.6 131.16 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 121.232 0.539 . . . . 0.0 112.114 -172.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.24 -7.88 58.67 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.329 175.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -92.05 -179.98 5.42 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 117.926 0.863 . . . . 0.0 110.705 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -142.39 166.14 25.49 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -173.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 50.3 mt -144.42 166.95 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 125.736 1.614 . . . . 0.0 107.004 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -141.61 156.07 45.69 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.118 0.872 . . . . 0.0 112.641 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 43.7 mt -143.36 149.15 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 124.248 1.019 . . . . 0.0 108.861 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.58 -141.26 35.71 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -129.13 10.16 5.8 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.622 0.769 . . . . 0.0 109.912 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -142.45 10.38 1.86 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.316 0.646 . . . . 0.0 111.485 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.29 145.93 34.6 Favored 'Isoleucine or valine' 0 C--N 1.341 0.225 0 CA-C-N 118.639 0.654 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -140.13 157.04 46.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.9 mm -135.18 148.69 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 10.9 m -142.61 153.78 43.79 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.73 94.9 3.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.529 ' CD1' " H1'" ' B' ' 42' ' ' ' C' . 8.1 mt -67.47 -29.84 69.39 Favored 'General case' 0 C--N 1.341 0.227 0 O-C-N 121.716 -0.615 . . . . 0.0 112.601 -169.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.413 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 162.66 -172.1 38.64 Favored Glycine 0 C--N 1.34 0.77 0 CA-C-N 118.652 0.66 . . . . 0.0 112.489 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 m -133.77 162.05 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.223 0.535 . . . . 0.0 111.67 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 51.8 p -150.78 89.9 1.58 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.41 -126.66 11.5 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -175.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -84.06 -17.22 41.04 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 117.641 0.721 . . . . 0.0 109.528 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.9 147.26 48.96 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 74.5 t -137.79 115.92 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -85.76 125.42 33.22 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.2 mt -127.72 154.86 38.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -171.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.77 154.25 19.63 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 109.784 -1.326 . . . . 0.0 109.784 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 77.8 mt -140.36 138.28 36.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -135.24 98.79 4.07 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.097 0.475 . . . . 0.0 109.953 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.93 153.49 57.31 Favored Pre-proline 0 N--CA 1.448 -0.536 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.346 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.12 153.03 72.19 Favored 'Trans proline' 0 N--CA 1.445 -1.346 0 C-N-CA 122.657 2.238 . . . . 0.0 110.239 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -64.44 -8.26 12.88 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 121.21 0.528 . . . . 0.0 110.531 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.65 -9.33 18.9 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.573 1.549 . . . . 0.0 112.265 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -134.08 167.7 25.59 Favored 'Isoleucine or valine' 0 C--N 1.34 0.157 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.43 154.15 18.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -176.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -160.48 128.62 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.103 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 172.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -154.81 172.23 18.33 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 122.925 0.49 . . . . 0.0 109.801 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -73.11 161.8 30.19 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -60.83 -23.24 64.95 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.653 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -68.88 -47.91 64.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.549 0.34 . . . . 0.0 110.849 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 17.0 mm -77.03 -24.78 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-O 120.723 0.296 . . . . 0.0 110.48 -174.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.484 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 80.9 t80 -62.41 -29.7 70.69 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.565 0.346 . . . . 0.0 111.717 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -73.59 -21.59 60.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -75.72 -19.75 58.85 Favored 'General case' 0 C--N 1.34 0.177 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -99.4 -46.57 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.511 -172.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.484 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 74.5 mm-40 -69.98 3.03 2.94 Favored 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.33 -16.68 63.83 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.303 0.241 . . . . 0.0 111.252 174.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.96 18.27 0.08 OUTLIER Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.888 -0.951 . . . . 0.0 114.28 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -157.67 -176.27 5.84 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.892 1.346 . . . . 0.0 112.813 -170.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 16.6 p -143.95 8.2 1.45 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.407 1.083 . . . . 0.0 110.33 172.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.27 122.46 3.8 Favored Pre-proline 0 N--CA 1.452 -0.338 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -51.11 170.77 0.14 Allowed 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 124.591 3.528 . . . . 0.0 114.853 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 CA--C 1.532 0.252 0 C-N-CA 124.554 1.141 . . . . 0.0 112.986 -177.754 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 0 C3'-C2'-C1' 104.966 3.851 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 O5'-C5'-C4' 113.135 2.096 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' ' A' . . . . . 0.502 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 O4'-C1'-N19 111.813 3.613 . 0.079 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' ' G' . . . . . 0.502 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.967 0 C3'-C2'-C1' 103.627 2.364 . 0.101 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.334 1 O4'-C1'-N19 114.914 6.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C3'-C2'-C1' 104.401 3.224 . 0.188 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' ' C' . . . . . 0.522 ' C6 ' " H5'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.856 1 C3'-C2'-C1' 106.419 5.466 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.442 ' H62' HG23 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 O3'-P-O5' 97.314 -3.519 . 0.01 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 C5'-C4'-O4' 114.018 3.442 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.402 ' C ' HD13 ' A' ' 3' ' ' ILE . 4.5 mt -140.19 152.31 45.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.402 HD13 ' C ' ' A' ' 2' ' ' LEU . 4.4 mp -133.81 146.21 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -147.17 169.62 18.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.787 0.835 . . . . 0.0 109.877 -175.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -135.54 98.39 3.93 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 171.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.41 162.6 13.09 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.032 1.333 . . . . 0.0 108.854 -177.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -125.11 169.27 12.35 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 119.805 1.184 . . . . 0.0 111.572 174.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.459 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.2 m -59.39 135.4 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.02 -170.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.14 0.77 65.42 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.208 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -105.97 -179.57 3.98 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.836 0.818 . . . . 0.0 110.294 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -145.38 173.54 11.91 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -172.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.3 mt -152.36 158.16 4.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 127.211 2.204 . . . . 0.0 106.393 -173.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -136.15 157.81 45.91 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 118.731 0.696 . . . . 0.0 111.719 -175.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.9 mt -140.02 144.23 28.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 124.539 1.136 . . . . 0.0 108.792 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.05 -136.84 37.89 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.284 -1.127 . . . . 0.0 110.284 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -130.13 10.14 5.35 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.087 0.555 . . . . 0.0 110.262 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -141.88 10.93 2.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.115 0.566 . . . . 0.0 112.32 -176.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.08 146.45 34.08 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 CA-C-N 119.009 0.822 . . . . 0.0 110.446 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.3 m -138.63 156.02 47.8 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.761 0.824 . . . . 0.0 109.193 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -136.51 145.89 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.654 1.182 . . . . 0.0 108.112 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.5 m -142.72 147.1 35.07 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.556 0.217 . . . . 0.0 110.416 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.423 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 tp -105.91 92.72 2.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.41 -33.34 75.32 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.14 -0.35 . . . . 0.0 111.051 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.459 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.88 -171.38 38.66 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.636 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 m -133.58 160.59 42.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 CA-C-O 120.818 0.342 . . . . 0.0 111.428 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.7 p -150.69 89.41 1.55 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.98 -121.57 9.36 Favored Glycine 0 C--N 1.338 0.686 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -175.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -88.36 -19.03 27.18 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 117.707 0.754 . . . . 0.0 109.713 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.69 146.11 51.83 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.6 t -137.54 118.25 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -79.92 119.46 22.81 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -126.46 152.98 34.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.22 156.35 22.34 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.7 mt -140.3 144.24 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -175.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -140.89 108.06 5.48 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.53 158.01 38.27 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 123.609 0.764 . . . . 0.0 109.792 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.68 158.33 50.97 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 123.274 2.649 . . . . 0.0 110.738 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -69.06 -0.82 6.28 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-O 121.228 0.537 . . . . 0.0 110.205 173.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.78 -10.27 45.75 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.803 1.241 . . . . 0.0 110.938 173.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -138.66 167.91 20.33 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 C-N-CA 123.8 0.84 . . . . 0.0 109.399 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.15 153.61 22.91 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.685 0.279 . . . . 0.0 110.641 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.17 129.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -155.59 170.49 21.87 Favored 'General case' 0 C--N 1.335 -0.046 0 C-N-CA 123.623 0.769 . . . . 0.0 109.433 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -77.05 164.59 25.58 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 173.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -59.15 -20.67 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -70.84 -48.3 54.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.024 -0.423 . . . . 0.0 111.223 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.4 mm -77.78 -24.92 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.094 0 CA-C-O 120.629 0.252 . . . . 0.0 110.341 -173.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.492 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 84.3 t80 -61.24 -28.48 69.2 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.108 0.563 . . . . 0.0 112.067 -177.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -72.78 -21.4 61.0 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.638 0.375 . . . . 0.0 112.009 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -76.64 -18.81 58.38 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.2 mt -99.78 -46.4 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.538 -172.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.492 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 72.6 mm-40 -70.4 3.29 3.07 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -15.57 63.59 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 122.782 0.433 . . . . 0.0 111.102 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.03 19.11 0.08 OUTLIER Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.225 -0.764 . . . . 0.0 114.097 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -158.82 -175.77 5.49 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.888 1.344 . . . . 0.0 113.151 -170.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.7 p -145.19 9.95 1.28 Allowed 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 125.033 1.333 . . . . 0.0 110.131 172.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.76 124.12 4.66 Favored Pre-proline 0 N--CA 1.452 -0.349 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.96 173.57 0.07 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 124.709 3.606 . . . . 0.0 114.676 174.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 CA--C 1.53 0.191 0 C-N-CA 124.124 0.97 . . . . 0.0 112.27 -178.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C5'-C4'-C3' 110.049 -3.634 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 C5'-C4'-C3' 111.203 -2.865 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ' A' . . . . . 0.514 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.88 0 O4'-C1'-N19 111.123 2.923 . 0.084 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.514 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.977 0 C3'-C2'-C1' 103.886 2.651 . 0.041 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 2 O4'-C1'-N19 114.604 6.404 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 C5'-C4'-C3' 110.286 -3.476 . 0.133 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.799 1 O4'-C1'-N19 112.521 4.321 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.423 " H1'" ' C6 ' ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 O4'-C1'-N19 110.429 2.229 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . 0.423 ' C6 ' " H1'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C5'-C4'-C3' 111.125 -2.916 . 0.445 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.4 tpt . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mt -137.71 154.23 49.67 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -136.36 147.4 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -144.6 165.3 28.41 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.079 0.952 . . . . 0.0 109.335 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.65 95.94 4.12 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 172.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -101.59 162.47 12.88 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.848 1.259 . . . . 0.0 108.183 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -128.46 167.45 17.04 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 119.19 0.904 . . . . 0.0 110.951 174.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.442 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.5 m -55.4 130.54 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.307 -170.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.85 -2.2 56.89 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.659 176.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -107.95 -179.29 3.85 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.174 0.987 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 32.5 m -142.24 168.78 18.92 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 73.6 mt -140.93 163.72 21.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 126.758 2.023 . . . . 0.0 106.508 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -138.93 154.09 48.31 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 119.053 0.842 . . . . 0.0 112.099 -175.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mt -141.44 147.65 21.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 123.83 0.852 . . . . 0.0 108.892 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.0 -139.34 33.34 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -130.21 10.76 5.39 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.222 0.609 . . . . 0.0 110.052 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -141.37 11.01 2.11 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.317 0.647 . . . . 0.0 111.555 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.7 144.43 38.09 Favored 'Isoleucine or valine' 0 C--N 1.343 0.288 0 CA-C-N 118.844 0.747 . . . . 0.0 110.914 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 52.9 m -141.05 155.43 46.16 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.469 1.108 . . . . 0.0 108.063 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -133.55 147.77 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 10.0 m -140.79 145.67 36.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.862 0.363 . . . . 0.0 110.24 -176.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.417 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.2 tp -106.14 92.3 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.09 -26.2 66.6 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -171.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.442 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 159.57 -172.07 36.11 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 118.118 0.417 . . . . 0.0 112.309 177.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -133.14 160.36 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.087 0 CA-C-N 117.281 0.541 . . . . 0.0 111.403 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.5 t -150.9 89.43 1.54 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.63 -132.84 29.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 109.374 -1.491 . . . . 0.0 109.374 -174.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -77.12 -20.61 55.41 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 117.642 0.721 . . . . 0.0 109.332 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.67 147.13 51.01 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 176.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 89.7 t -137.27 123.23 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -85.75 127.77 34.62 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 mt -134.97 154.9 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -170.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.48 157.35 22.02 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.9 mt -139.95 135.0 37.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -134.44 98.26 4.04 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.246 0.546 . . . . 0.0 109.838 -174.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.26 155.21 50.39 Favored Pre-proline 0 N--CA 1.447 -0.6 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.433 ' C ' ' H ' ' C' ' 39' ' ' ASP . 26.4 Cg_endo -61.73 154.13 62.74 Favored 'Trans proline' 0 N--CA 1.443 -1.492 0 C-N-CA 121.958 1.772 . . . . 0.0 109.333 176.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -63.64 -6.03 4.84 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 121.626 0.727 . . . . 0.0 110.057 175.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' C' ' 37' ' ' PRO . 16.0 t70 -63.23 -10.78 17.12 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 126.119 1.768 . . . . 0.0 112.041 175.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 m -134.15 158.43 42.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.73 142.96 29.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.492 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 4.7 m -147.63 135.13 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 172.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -155.12 165.13 37.66 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -67.16 157.68 33.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 172.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -64.24 -8.92 14.23 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.7 -48.75 53.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.929 -0.482 . . . . 0.0 110.714 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.3 mm -78.51 -24.86 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-O 120.649 0.262 . . . . 0.0 110.544 -173.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.464 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 79.9 t80 -61.62 -28.69 69.55 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -76.13 -21.08 57.02 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.447 0.299 . . . . 0.0 111.512 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -78.26 -18.07 55.83 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -99.52 -46.1 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 C-N-CA 122.662 0.385 . . . . 0.0 110.441 -173.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 80.3 mm-40 -70.06 3.17 2.91 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -11.9 56.07 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.857 0.463 . . . . 0.0 111.803 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.23 16.28 0.08 OUTLIER Glycine 0 C--N 1.341 0.861 0 CA-C-O 119.446 -0.641 . . . . 0.0 113.812 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -155.72 -164.75 1.8 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.397 1.098 . . . . 0.0 111.257 -172.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 21.8 m -134.86 -18.0 1.88 Allowed 'General case' 0 C--N 1.341 0.231 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.651 ' H ' ' CD ' ' C' ' 58' ' ' PRO . . . -163.04 -34.8 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 179.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . 0.651 ' CD ' ' H ' ' C' ' 57' ' ' ALA . 53.5 Cg_exo -56.33 149.4 55.88 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 122.965 2.443 . . . . 0.0 112.625 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 CA--C 1.538 0.5 0 C-N-CA 124.717 1.207 . . . . 0.0 112.89 175.522 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 O4'-C1'-N19 111.177 2.977 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.451 " H3'" ' C8 ' ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.085 0 C5'-C4'-C3' 110.041 -3.639 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' ' A' . . . . . 0.5 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 O4'-C1'-N19 112.071 3.871 . 0.233 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' ' G' . . . . . 0.5 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 C3'-C2'-C1' 103.961 2.735 . 0.087 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 1 O4'-C1'-N19 113.182 4.982 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 C5'-C4'-C3' 110.353 -3.431 . 0.105 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' ' C' . . . . . 0.449 " H1'" ' C8 ' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.887 1 N19-C1'-C2' 106.481 -4.324 . 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.569 ' C5 ' " H1'" ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.47 1 C5'-C4'-C3' 108.729 -4.514 . 0.082 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . 0.569 " H1'" ' C5 ' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.66 2 C5'-C4'-C3' 107.208 -5.528 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.415 -0.326 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mt -137.98 153.58 49.43 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.401 ' CD1' " H4'" ' B' ' 42' ' ' ' C' . 4.4 mp -136.17 145.83 30.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -146.46 166.58 25.97 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.013 0.925 . . . . 0.0 109.357 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m -134.64 94.44 3.19 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -104.38 162.61 13.07 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.9 1.28 . . . . 0.0 108.722 -175.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -124.23 169.27 11.91 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 119.812 1.187 . . . . 0.0 111.781 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.474 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 6.2 m -58.73 131.77 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.968 -170.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.14 -1.79 57.71 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.106 177.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -104.22 179.6 4.22 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.592 0.696 . . . . 0.0 110.162 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.6 m -143.16 168.26 20.17 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -173.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.0 mt -143.16 164.94 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -139.47 155.33 47.64 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.828 0.74 . . . . 0.0 111.823 -176.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.9 mt -141.92 149.01 20.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.02 -140.27 35.45 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -129.24 10.29 5.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.652 0.781 . . . . 0.0 109.663 177.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -144.27 11.94 1.54 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.53 0.732 . . . . 0.0 111.7 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.63 146.78 33.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 CA-C-N 118.951 0.796 . . . . 0.0 110.509 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.7 m -141.08 155.4 46.15 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 mm -135.03 147.86 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -142.97 145.5 33.04 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.431 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.0 OUTLIER -105.8 91.89 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.2 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.28 -27.85 68.25 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -172.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.474 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.97 -173.42 36.64 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 118.181 0.446 . . . . 0.0 113.01 178.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -135.98 161.91 37.25 Favored 'Isoleucine or valine' 0 C--N 1.339 0.149 0 CA-C-O 120.805 0.336 . . . . 0.0 111.456 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -150.07 89.46 1.6 Allowed 'General case' 0 CA--C 1.523 -0.088 0 C-N-CA 124.178 0.991 . . . . 0.0 108.732 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.85 -102.54 1.33 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -106.8 -18.07 14.04 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -70.29 150.6 46.21 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -138.61 118.34 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -88.21 124.16 33.57 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -130.09 154.56 40.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -170.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.49 156.77 22.02 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -140.58 145.43 25.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -176.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -140.8 107.24 5.28 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.13 156.76 43.45 Favored Pre-proline 0 N--CA 1.454 -0.226 0 C-N-CA 123.097 0.559 . . . . 0.0 110.384 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.87 157.06 58.64 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 123.445 2.763 . . . . 0.0 111.061 175.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.8 mmmm -72.61 -0.78 13.84 Favored 'General case' 0 N--CA 1.46 0.055 0 CA-C-O 120.764 0.316 . . . . 0.0 110.751 175.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.24 -8.16 47.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.97 0.908 . . . . 0.0 110.389 171.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m -139.23 169.1 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.322 1.049 . . . . 0.0 109.041 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.22 162.54 18.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.114 -0.367 . . . . 0.0 111.186 -174.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 p -156.9 127.11 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 123.47 0.708 . . . . 0.0 109.356 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -154.68 173.33 16.54 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 122.629 0.372 . . . . 0.0 110.785 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -72.11 155.87 39.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 169.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -19.6 17.38 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -178.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -63.94 -48.73 75.37 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.434 0.561 . . . . 0.0 110.146 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.0 mm -77.67 -26.93 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.208 -174.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.493 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 72.5 t80 -67.12 -31.28 71.63 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.848 0.459 . . . . 0.0 111.279 -177.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -71.22 -21.42 62.13 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.876 0.47 . . . . 0.0 111.174 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -80.84 -18.06 48.68 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 123.079 0.552 . . . . 0.0 110.137 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.8 mt -99.13 -45.7 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 122.369 0.268 . . . . 0.0 110.35 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.493 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 83.1 mm-40 -71.77 2.96 4.58 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.925 -0.484 . . . . 0.0 112.107 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.61 -15.32 63.36 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.625 0.37 . . . . 0.0 111.478 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.88 16.74 0.05 OUTLIER Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.289 -0.728 . . . . 0.0 114.105 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -157.16 -171.31 3.58 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.476 1.138 . . . . 0.0 112.048 -171.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.8 m -143.7 2.69 1.23 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 122.934 0.493 . . . . 0.0 110.389 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.39 81.69 6.57 Favored Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 122.975 0.51 . . . . 0.0 110.081 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -52.0 176.51 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 124.822 3.682 . . . . 0.0 114.547 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 CA--C 1.533 0.309 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.624 179.817 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 C5'-C4'-C3' 110.364 -3.424 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C5'-C4'-C3' 111.248 -2.835 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ' A' . . . . . 0.539 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.987 0 O4'-C1'-N19 111.441 3.241 . 0.017 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.539 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.034 0 C3'-C2'-C1' 103.573 2.304 . 0.101 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 1 O4'-C1'-N19 113.479 5.279 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C5'-C4'-C3' 110.215 -3.523 . 0.091 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ' C' . . . . . 0.44 " C3'" H5'' ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 O4'-C1'-N19 112.199 3.999 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.517 " O4'" ' C6 ' ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.407 -3.821 0 C4'-C3'-C2' 99.145 -3.555 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . 0.517 ' C6 ' " O4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 O4'-C1'-N19 111.798 3.598 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 119.429 -0.319 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.415 ' HG ' " O4'" ' D' ' 40' ' ' ' G' . 0.8 OUTLIER -138.3 155.95 48.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 175.508 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.454 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 4.9 mp -135.28 148.57 28.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 85.5 mt -146.65 171.07 15.68 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.05 0.94 . . . . 0.0 110.023 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -139.56 106.23 5.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.102 0.477 . . . . 0.0 110.29 170.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.72 177.73 4.76 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.531 1.133 . . . . 0.0 109.367 176.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -132.7 170.44 15.23 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 110.455 169.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.449 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 10.6 m -57.3 133.9 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-O 121.059 0.457 . . . . 0.0 112.05 -172.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.93 -2.39 59.99 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.285 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -104.55 -178.62 3.71 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.824 0.812 . . . . 0.0 111.539 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 12.5 p -147.07 169.45 19.23 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -176.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 mm -139.81 164.47 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 127.245 2.218 . . . . 0.0 106.851 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -136.58 153.63 50.91 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.789 -0.569 . . . . 0.0 111.485 -174.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 39.3 mt -142.62 147.4 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.61 0.764 . . . . 0.0 109.139 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.17 -139.27 41.49 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -129.91 10.07 5.44 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.313 0.645 . . . . 0.0 110.108 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -143.97 11.42 1.59 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.555 0.742 . . . . 0.0 111.967 -177.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.29 144.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 CA-C-N 119.013 0.824 . . . . 0.0 110.487 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 88.8 m -141.26 155.68 45.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.961 0.904 . . . . 0.0 108.864 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.5 mm -133.68 145.41 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.0 m -139.42 145.51 38.98 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.434 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.4 tp -105.9 95.18 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.25 -29.03 69.19 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -173.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.449 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.66 -171.25 35.35 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.7 m -133.26 161.82 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-O 121.374 0.606 . . . . 0.0 111.504 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 34.4 t -151.17 89.68 1.54 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.01 -132.07 25.84 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 108.961 -1.656 . . . . 0.0 108.961 -174.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -79.12 -17.45 55.07 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 117.729 0.765 . . . . 0.0 109.755 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.65 146.38 50.02 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -137.5 118.87 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 106.077 -1.824 . . . . 0.0 106.077 -177.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -87.47 126.12 34.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -131.17 155.35 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -170.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.75 155.85 21.4 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.37 143.02 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -140.15 105.94 5.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.79 156.89 41.24 Favored Pre-proline 0 N--CA 1.451 -0.419 0 C-N-CA 123.782 0.833 . . . . 0.0 109.527 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.48 159.19 45.57 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.276 2.651 . . . . 0.0 110.761 175.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -70.27 -0.53 8.18 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-O 121.177 0.513 . . . . 0.0 110.434 172.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -67.02 -11.56 57.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.899 1.279 . . . . 0.0 110.655 173.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 m -138.85 168.09 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.958 0.903 . . . . 0.0 109.769 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.81 157.96 17.35 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.614 0.245 . . . . 0.0 110.769 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -157.52 128.81 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.23 0.066 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 173.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -155.18 171.05 20.44 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.474 0.71 . . . . 0.0 109.617 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -75.69 165.27 25.31 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 173.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -59.98 -20.92 60.24 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -175.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -70.13 -49.62 48.78 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 122.075 -0.391 . . . . 0.0 111.472 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 18.4 mm -76.77 -25.54 15.92 Favored 'Isoleucine or valine' 0 C--N 1.337 0.063 0 CA-C-O 120.961 0.41 . . . . 0.0 110.696 -173.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.437 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 87.1 t80 -60.63 -31.06 70.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.703 0.401 . . . . 0.0 111.326 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.24 -21.69 62.97 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.628 0.371 . . . . 0.0 111.809 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -80.66 -20.17 43.66 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 75.1 mt -99.41 -29.64 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 123.551 0.741 . . . . 0.0 110.842 -173.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.437 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 70.3 mm-40 -87.59 4.67 42.84 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 175.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.47 -13.71 22.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.82 29.09 0.53 Allowed Glycine 0 C--N 1.342 0.877 0 CA-C-O 119.386 -0.675 . . . . 0.0 112.874 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.22 -22.74 0.11 Allowed 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -168.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.4 m 41.53 34.81 0.4 Allowed 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -172.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.61 124.93 4.22 Favored Pre-proline 0 CA--C 1.532 0.272 0 O-C-N 121.922 -0.486 . . . . 0.0 109.926 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -52.98 177.05 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 124.55 3.5 . . . . 0.0 114.016 174.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--O 1.232 0.136 0 C-N-CA 123.831 0.853 . . . . 0.0 112.135 179.659 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.452 " H4'" ' C5 ' ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C5'-C4'-C3' 110.421 -3.386 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.452 ' C5 ' " H4'" ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.316 1 C5'-C4'-C3' 109.165 -4.223 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 O4'-C1'-N19 111.065 2.865 . 0.048 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 39' ' ' ' G' . . . . . 0.4 " H1'" ' C6 ' ' D' ' 41' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.405 -4.01 1 C4'-C3'-C2' 96.399 -6.301 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . 0.415 " O4'" ' HG ' ' C' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.418 -2.923 1 O4'-C1'-N19 113.04 4.84 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 41' ' ' ' A' . . . . . 0.422 ' C8 ' ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 C5'-C4'-C3' 110.589 -3.274 . 0.24 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 42' ' ' ' C' . . . . . 0.454 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.647 3.447 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.408 " O4'" ' C6 ' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.411 -3.482 0 O3'-P-O5' 99.163 -2.546 . 0.101 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . 0.408 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 C4'-C3'-C2' 99.454 -3.246 . 0.011 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 tpt . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mt -137.64 151.58 48.44 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.71 144.45 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.9 mt -147.84 166.05 28.74 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 123.812 0.845 . . . . 0.0 109.797 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -133.83 96.39 3.66 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-O 121.201 0.524 . . . . 0.0 109.957 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.01 179.45 5.44 Favored 'General case' 0 C--N 1.335 -0.064 0 C-N-CA 125.013 1.325 . . . . 0.0 109.218 177.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -136.08 172.32 13.19 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 168.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.429 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 11.7 m -59.72 135.09 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-O 121.078 0.466 . . . . 0.0 111.834 -172.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.64 -1.28 61.67 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.301 178.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -102.08 -179.67 4.06 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 117.968 0.884 . . . . 0.0 110.878 -178.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 m -144.7 168.79 19.34 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -173.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.8 mm -142.87 164.4 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 126.014 1.726 . . . . 0.0 106.887 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -138.57 153.88 48.7 Favored 'General case' 0 C--O 1.23 0.078 0 O-C-N 121.422 -0.799 . . . . 0.0 111.564 -176.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.9 mt -141.07 146.83 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.0 -138.06 35.64 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -130.11 10.56 5.41 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.096 0.558 . . . . 0.0 109.744 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -142.42 11.83 1.92 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.609 0.764 . . . . 0.0 111.784 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.98 143.94 39.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 CA-C-N 118.707 0.685 . . . . 0.0 110.272 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 m -141.18 155.85 46.01 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.3 mm -135.37 148.43 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -178.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.4 m -142.32 146.85 35.47 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.412 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 tp -105.57 93.56 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 mt -63.4 -30.92 71.97 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -174.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.429 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.17 -170.17 34.9 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.1 m -128.93 161.51 38.03 Favored 'Isoleucine or valine' 0 C--O 1.23 0.062 0 CA-C-O 121.242 0.544 . . . . 0.0 111.165 178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -150.21 89.3 1.57 Allowed 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.86 -139.97 35.62 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -173.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -71.33 -15.84 62.42 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 117.826 0.813 . . . . 0.0 110.064 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.44 149.79 38.45 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.5 t -135.19 124.25 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -177.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.1 ttm105 -94.02 125.05 38.42 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -132.23 155.35 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.619 -168.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.83 156.47 21.44 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.3 mt -140.62 142.24 30.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -176.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -140.14 106.27 5.23 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.11 156.01 43.5 Favored Pre-proline 0 N--CA 1.453 -0.286 0 C-N-CA 123.738 0.815 . . . . 0.0 109.92 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.7 159.0 47.41 Favored 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 123.202 2.602 . . . . 0.0 111.129 176.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -72.41 -0.85 13.6 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 122.674 0.39 . . . . 0.0 110.443 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -72.39 -6.26 42.21 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 124.263 1.025 . . . . 0.0 110.814 173.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m -138.03 168.77 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.612 0.765 . . . . 0.0 109.478 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.74 155.81 21.95 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.871 0.367 . . . . 0.0 111.348 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.24 128.64 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -154.4 172.74 17.24 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.343 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -69.55 154.13 42.45 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -58.72 -22.57 57.89 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.549 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -67.97 -46.41 71.46 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.462 0.705 . . . . 0.0 111.144 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.5 mm -78.09 -28.51 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 122.253 0.221 . . . . 0.0 110.488 -174.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.487 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 82.6 t80 -59.37 -28.77 67.17 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.155 0.582 . . . . 0.0 111.614 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -71.03 -21.43 62.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.694 0.398 . . . . 0.0 111.864 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -80.4 -19.18 46.83 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 122.947 0.499 . . . . 0.0 110.061 177.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.0 mt -98.5 -33.02 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.722 0.809 . . . . 0.0 110.104 -173.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.487 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 76.0 mm-40 -84.78 3.59 36.91 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 122.32 -0.238 . . . . 0.0 111.019 174.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.0 -19.78 64.68 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.81 0.444 . . . . 0.0 112.187 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.7 27.36 0.07 OUTLIER Glycine 0 C--N 1.339 0.75 0 CA-C-O 119.112 -0.827 . . . . 0.0 113.869 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.45 -36.75 0.16 Allowed 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.896 1.348 . . . . 0.0 114.474 -173.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 m 38.58 28.25 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.769 1.227 . . . . 0.0 113.618 -171.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.76 66.38 4.02 Favored Pre-proline 0 CA--C 1.532 0.268 0 O-C-N 121.798 -0.564 . . . . 0.0 111.079 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.82 176.08 0.08 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 124.276 3.317 . . . . 0.0 114.079 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 CA--C 1.53 0.199 0 C-N-CA 123.637 0.775 . . . . 0.0 112.051 178.354 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.409 H5'' ' C6 ' ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C5'-C4'-C3' 111.53 -2.647 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 1 C5'-C4'-C3' 109.236 -4.176 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ' A' . . . . . 0.506 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.788 1 O4'-C1'-N19 112.475 4.275 . 0.142 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.506 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C3'-C2'-C1' 103.814 2.571 . 0.081 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 2 O4'-C1'-N19 115.31 7.11 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 C5'-C4'-C3' 109.759 -3.827 . 0.114 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 1 O4'-C1'-N19 112.492 4.292 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.411 " H1'" ' C6 ' ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 O4'-C1'-N19 110.259 2.059 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . 0.411 ' C6 ' " H1'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C5'-C4'-C3' 111.023 -2.985 . 0.425 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.2 tpt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.417 -0.325 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mt -134.89 154.03 51.83 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.297 0.499 . . . . 0.0 110.014 176.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.441 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 4.6 mp -134.47 148.72 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 76.2 mt -145.86 165.27 29.4 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.824 0.849 . . . . 0.0 110.542 -173.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.61 96.26 2.95 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -106.81 168.9 8.87 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 124.498 1.119 . . . . 0.0 111.207 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -110.58 166.0 11.35 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -64.68 135.82 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 120.034 -0.667 . . . . 0.0 110.345 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.48 5.91 64.74 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.527 -0.596 . . . . 0.0 112.196 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -109.83 178.27 4.47 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.095 0.948 . . . . 0.0 111.034 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.5 m -143.61 168.11 20.66 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -171.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 39.8 mm -144.06 163.26 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 127.059 2.143 . . . . 0.0 107.089 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -135.15 155.92 49.87 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 118.732 0.696 . . . . 0.0 112.318 -176.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 43.2 mt -142.97 146.81 21.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.638 1.175 . . . . 0.0 109.115 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.8 -140.86 33.53 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 -178.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -130.19 10.5 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.455 0.702 . . . . 0.0 110.421 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -141.09 11.92 2.2 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.703 0.801 . . . . 0.0 111.947 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -128.81 144.16 38.94 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 CA-C-N 118.971 0.805 . . . . 0.0 111.029 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 42.7 m -140.7 156.14 46.29 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -133.32 145.75 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 53.3 m -142.24 146.06 34.75 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -105.46 99.21 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -67.61 -28.27 67.6 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -174.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.41 -172.84 34.23 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-N 117.944 0.338 . . . . 0.0 112.543 175.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -134.17 161.33 40.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.888 0.344 . . . . 0.0 111.366 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -150.34 89.74 1.6 Allowed 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.6 -102.29 1.49 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 109.786 -1.325 . . . . 0.0 109.786 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -107.06 -19.08 13.73 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 117.27 0.535 . . . . 0.0 109.73 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -68.1 149.72 49.28 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -139.66 110.28 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -84.47 124.65 31.59 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mt -127.05 155.04 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -171.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.07 154.51 19.87 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 177.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.9 mt -140.33 136.96 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -133.33 98.56 4.27 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 121.292 0.567 . . . . 0.0 110.037 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.86 153.22 57.22 Favored Pre-proline 0 N--CA 1.449 -0.479 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.058 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.9 152.77 77.21 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 122.28 1.987 . . . . 0.0 109.823 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -7.39 12.11 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-O 121.587 0.708 . . . . 0.0 111.017 177.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.46 -9.57 19.43 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.528 1.531 . . . . 0.0 112.193 174.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.38 167.94 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.68 155.12 18.52 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.813 -175.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -160.37 131.12 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 172.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -155.45 170.94 20.78 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.04 0.536 . . . . 0.0 110.427 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -73.06 157.48 37.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 170.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -21.76 63.87 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.812 -0.755 . . . . 0.0 111.337 177.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.49 -28.53 69.26 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 122.192 -0.318 . . . . 0.0 110.362 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 14.4 mm -99.46 -31.84 3.58 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.101 0 C-N-CA 122.609 0.364 . . . . 0.0 110.111 -176.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -62.48 -33.39 74.76 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.346 0.259 . . . . 0.0 111.178 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -64.37 -18.26 64.5 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.579 1.151 . . . . 0.0 112.478 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -86.5 -13.95 44.51 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.195 0.598 . . . . 0.0 112.289 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . 0.401 ' C ' ' H ' ' C' ' 53' ' ' ALA . 85.1 mt -100.47 -63.64 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -168.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.19 2.44 0.36 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' C' ' 51' ' ' ILE . . . -66.49 -16.06 63.84 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -175.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.44 18.53 0.07 OUTLIER Glycine 0 CA--C 1.527 0.831 0 CA-C-N 118.301 0.501 . . . . 0.0 113.393 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.96 -28.6 0.24 Allowed 'General case' 0 C--O 1.227 -0.085 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -172.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.1 m 40.53 31.68 0.12 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.581 1.152 . . . . 0.0 113.165 -174.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.5 106.57 2.38 Favored Pre-proline 0 N--CA 1.451 -0.389 0 C-N-CA 123.258 0.623 . . . . 0.0 109.897 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.32 177.6 0.05 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 124.787 3.658 . . . . 0.0 114.43 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 124.249 1.02 . . . . 0.0 112.189 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 2 C4'-C3'-C2' 97.643 -5.057 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 0 O5'-C5'-C4' 113.392 2.28 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 38' ' ' ' A' . . . . . 0.518 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 P-O3'-C3' 122.503 2.336 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 39' ' ' ' G' . . . . . 0.518 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 P-O3'-C3' 122.612 2.427 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 1 O4'-C1'-N19 112.797 4.597 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 0 C5'-C4'-C3' 109.941 -3.706 . 0.043 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 42' ' ' ' C' . . . . . 0.441 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.024 0 O4'-C1'-N19 111.833 3.633 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.517 " O4'" ' C6 ' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.408 -3.741 0 C4'-C3'-C2' 100.092 -2.608 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . 0.517 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C5'-C4'-C3' 110.664 -3.224 . 0.215 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 tpt . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 119.5 -0.286 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mt -140.54 153.62 46.22 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 122.858 0.463 . . . . 0.0 110.132 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -137.48 147.14 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.6 mt -144.25 167.27 22.82 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.263 1.025 . . . . 0.0 109.549 -176.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -134.14 99.28 4.36 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.52 177.71 4.76 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -133.47 169.4 17.02 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 172.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.442 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.9 m -57.45 132.96 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-O 121.257 0.551 . . . . 0.0 111.977 -172.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.43 -12.11 59.89 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.659 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -87.84 -178.62 6.08 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 117.84 0.82 . . . . 0.0 111.331 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -145.45 167.63 22.49 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.341 0.591 . . . . 0.0 111.654 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -141.08 164.47 20.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 125.503 1.521 . . . . 0.0 106.936 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -138.66 153.7 48.59 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 118.833 0.742 . . . . 0.0 111.883 -176.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.6 mt -141.26 148.22 21.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.85 -141.08 33.28 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -130.21 10.73 5.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.193 0.597 . . . . 0.0 110.4 175.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -138.39 11.21 2.76 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.126 0.97 . . . . 0.0 111.625 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.67 144.68 37.26 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-N 119.154 0.888 . . . . 0.0 110.941 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.7 m -140.15 155.75 46.84 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.2 mm -134.3 149.12 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.6 m -140.66 146.47 37.91 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.407 HG13 ' HA ' ' A' ' 8' ' ' VAL . 2.0 tp -105.5 95.88 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.91 -28.79 68.59 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.151 -0.343 . . . . 0.0 111.481 -175.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.442 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.33 -171.06 35.13 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-N 118.082 0.401 . . . . 0.0 112.902 176.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -136.33 163.58 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 117.097 0.448 . . . . 0.0 111.434 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.7 t -152.03 89.67 1.47 Allowed 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.905 0.882 . . . . 0.0 108.966 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.4 -88.41 0.81 Allowed Glycine 0 C--N 1.338 0.672 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -118.98 -20.1 8.24 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 122.678 0.391 . . . . 0.0 109.958 174.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -71.72 149.72 45.17 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.5 t -137.19 110.74 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -81.36 125.63 30.61 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 mt -126.99 155.24 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -172.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.09 154.46 19.86 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -140.24 140.11 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -175.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -139.69 104.6 4.95 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -175.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.11 154.67 50.6 Favored Pre-proline 0 N--CA 1.448 -0.528 0 C-N-CA 124.087 0.955 . . . . 0.0 108.627 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -60.87 153.64 61.79 Favored 'Trans proline' 0 N--CA 1.444 -1.434 0 C-N-CA 122.292 1.995 . . . . 0.0 110.249 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -65.45 -5.01 6.59 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.944 0.402 . . . . 0.0 110.244 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -73.6 -7.97 54.09 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.05 1.74 . . . . 0.0 112.678 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.4 m -132.65 168.59 23.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.54 153.94 20.54 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.804 0.335 . . . . 0.0 111.541 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -157.15 128.24 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 174.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -155.46 173.05 17.23 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.952 0.501 . . . . 0.0 110.361 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.419 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 74.9 ttt180 -68.63 156.17 38.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 173.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -58.87 -22.96 60.25 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.673 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.419 ' H ' ' HG2' ' A' ' 44' ' ' ARG . 18.3 tp10 -67.65 -49.03 64.95 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.148 0.579 . . . . 0.0 110.752 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 mm -76.85 -24.87 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 122.385 0.274 . . . . 0.0 110.334 -173.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.474 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 83.3 t80 -61.44 -28.88 69.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 123.018 0.527 . . . . 0.0 111.577 -178.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -72.84 -21.76 60.9 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.663 0.385 . . . . 0.0 111.708 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -76.68 -19.61 57.54 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.4 mt -99.22 -45.39 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 122.909 0.483 . . . . 0.0 110.666 -172.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.474 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 72.3 mm-40 -70.45 3.09 3.24 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 122.092 -0.38 . . . . 0.0 111.588 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.41 -16.9 64.45 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 122.756 0.423 . . . . 0.0 111.18 174.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.19 18.67 0.07 OUTLIER Glycine 0 CA--C 1.528 0.882 0 CA-C-O 119.086 -0.841 . . . . 0.0 114.371 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -158.17 -178.3 7.19 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.998 1.399 . . . . 0.0 113.13 -170.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -147.4 6.98 0.86 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.301 1.041 . . . . 0.0 110.328 173.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.22 79.48 5.56 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 123.067 0.547 . . . . 0.0 109.997 -178.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.83 172.7 0.09 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 124.563 3.508 . . . . 0.0 114.652 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.53 0.184 0 C-N-CA 123.925 0.89 . . . . 0.0 112.94 -177.012 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C5'-C4'-C3' 110.933 -3.045 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.876 0 C5'-C4'-C3' 111.41 -2.727 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ' A' . . . . . 0.415 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 O4'-C1'-N19 110.921 2.721 . 0.105 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.415 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.89 0 C5'-C4'-C3' 112.453 -2.031 . 0.044 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 1 O4'-C1'-N19 113.191 4.991 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.319 0 C5'-C4'-C3' 110.211 -3.526 . 0.132 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 1 O4'-C1'-N19 112.419 4.219 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.642 ' C5 ' " H1'" ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 N19-C1'-C2' 118.274 3.046 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . 0.642 " H1'" ' C5 ' ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.927 1 C5'-C4'-C3' 107.495 -5.337 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 19.0 tpt . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 119.493 -0.289 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mt -140.41 154.52 46.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.02 136.93 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.446 HD13 ' C2 ' ' D' ' 38' ' ' ' A' . 4.5 mm? -131.83 164.81 25.23 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 125.321 1.448 . . . . 0.0 109.252 -173.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.5 m -138.54 98.64 3.63 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 171.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -104.69 162.93 12.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.816 1.246 . . . . 0.0 108.695 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -124.46 168.54 12.92 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 119.365 0.984 . . . . 0.0 110.598 172.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.467 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.1 m -58.39 127.09 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.06 -170.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.22 3.08 54.28 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.41 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -115.26 177.03 4.81 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.19 0.995 . . . . 0.0 110.337 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 51.8 m -141.64 168.77 18.96 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -169.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 51.5 mt -141.81 165.15 18.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 126.193 1.797 . . . . 0.0 106.966 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -139.06 156.46 47.16 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 119.054 0.843 . . . . 0.0 112.3 -176.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 52.9 mt -140.99 150.86 20.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 124.083 0.953 . . . . 0.0 108.771 177.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.76 -140.0 34.98 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -129.48 10.41 5.68 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.84 0.856 . . . . 0.0 109.853 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -144.12 11.42 1.55 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.425 0.69 . . . . 0.0 111.839 -176.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.07 146.74 33.15 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 CA-C-N 118.865 0.757 . . . . 0.0 110.569 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -141.15 154.72 46.02 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.751 0.82 . . . . 0.0 108.93 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.4 145.54 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -143.29 146.44 33.59 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 121.018 0.437 . . . . 0.0 110.038 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.408 HG13 ' HA ' ' C' ' 8' ' ' VAL . 0.8 OUTLIER -107.18 97.97 6.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 177.023 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.4 mt -68.04 -33.91 75.47 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.743 -174.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 165.32 -176.19 41.0 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.298 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.2 161.14 41.22 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 121.192 0.52 . . . . 0.0 111.201 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 19.0 p -151.52 89.46 1.49 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.863 0.865 . . . . 0.0 109.074 175.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.54 -99.28 1.46 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -112.4 -17.86 12.6 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -70.34 148.68 48.18 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -137.53 116.9 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.87 118.16 20.65 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 174.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -124.6 152.72 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -176.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.26 154.51 20.88 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -140.72 144.81 26.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -176.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -140.6 108.76 5.77 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -176.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.68 157.74 40.77 Favored Pre-proline 0 N--CA 1.455 -0.187 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.375 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.06 159.25 43.59 Favored 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 123.189 2.593 . . . . 0.0 111.04 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -71.03 -0.17 8.87 Favored 'General case' 0 C--O 1.23 0.054 0 CA-C-O 121.162 0.506 . . . . 0.0 110.069 173.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.49 -11.68 58.51 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.008 1.323 . . . . 0.0 110.594 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -139.24 168.1 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.158 0.983 . . . . 0.0 109.342 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.48 157.04 18.8 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.203 0.201 . . . . 0.0 110.521 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -156.71 128.57 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 175.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -156.21 172.3 18.69 Favored 'General case' 0 C--O 1.23 0.052 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . 0.467 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 5.4 ptp85 -80.64 166.35 21.17 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -58.83 -23.55 60.78 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . 0.467 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 55.0 tt0 -69.65 -38.15 77.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.014 0.526 . . . . 0.0 112.0 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.7 mm -90.53 -24.62 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.444 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 85.0 t80 -59.65 -28.33 67.15 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 122.647 0.379 . . . . 0.0 111.526 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -69.85 -21.52 63.35 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.011 0.524 . . . . 0.0 111.132 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -86.07 -15.8 40.09 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 176.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 7.2 mm -79.97 -58.02 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.444 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 86.4 mm-40 -69.21 3.07 2.36 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.127 0.971 . . . . 0.0 112.611 -174.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.39 -15.05 62.19 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.956 0.502 . . . . 0.0 111.572 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.87 14.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.969 0 CA-C-O 119.316 -0.713 . . . . 0.0 113.769 177.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -157.89 -175.52 5.41 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.56 1.18 . . . . 0.0 112.529 -170.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 3.7 m -146.69 1.62 0.8 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.221 0.609 . . . . 0.0 110.104 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.99 80.88 5.89 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 123.425 0.69 . . . . 0.0 109.59 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -50.83 170.06 0.15 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 124.864 3.709 . . . . 0.0 115.093 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.894 -178.216 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . 0.41 " H1'" ' C5 ' ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.624 1 C5'-C4'-C3' 108.974 -4.35 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . 0.424 " H3'" ' C8 ' ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 O5'-C5'-C4' 113.72 2.514 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 38' ' ' ' A' . . . . . 0.507 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 111.06 2.86 . 0.067 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 39' ' ' ' G' . . . . . 0.507 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 P-O3'-C3' 122.681 2.485 . 0.099 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.313 1 O4'-C1'-N19 114.55 6.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 C5'-C4'-C3' 110.408 -3.395 . 0.147 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 42' ' ' ' C' . . . . . 0.456 " C3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.771 1 O4'-C1'-N19 112.59 4.39 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.524 " O4'" ' C6 ' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.411 -3.536 0 C4'-C3'-C2' 99.227 -3.473 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . 0.524 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 O4'-C1'-N19 111.629 3.429 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 tpt . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mt -136.04 156.31 48.92 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 172.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.47 ' HB ' ' H62' ' B' ' 43' ' ' ' A' . 3.4 mp -138.36 147.54 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 175.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -143.16 167.62 21.68 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.709 0.804 . . . . 0.0 109.516 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -135.98 95.58 3.24 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 172.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.555 HH21 HG23 ' A' ' 22' ' ' ILE . 9.1 ttp180 -107.47 179.51 4.22 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.956 0.902 . . . . 0.0 109.562 -177.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -137.4 171.31 14.66 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 118.453 0.569 . . . . 0.0 111.533 174.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.449 ' HA ' HG13 ' A' ' 22' ' ' ILE . 10.3 m -56.79 136.28 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.982 -173.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.72 -6.52 67.5 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.064 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -94.38 179.24 5.36 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.277 1.038 . . . . 0.0 111.502 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.2 m -146.41 166.33 26.69 Favored 'General case' 0 C--N 1.341 0.223 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -178.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.4 mm -143.87 168.6 11.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 125.893 1.677 . . . . 0.0 107.716 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -136.65 153.6 50.87 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.106 0.479 . . . . 0.0 112.117 -176.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -140.34 150.14 21.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 124.088 0.955 . . . . 0.0 108.702 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.92 -140.08 31.64 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -129.84 10.55 5.53 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.162 0.585 . . . . 0.0 110.374 176.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -142.1 12.65 2.01 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.888 0.875 . . . . 0.0 111.883 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -127.82 146.9 32.71 Favored 'Isoleucine or valine' 0 C--N 1.34 0.163 0 CA-C-N 118.977 0.808 . . . . 0.0 111.114 -178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.9 m -141.16 155.04 46.14 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.295 1.038 . . . . 0.0 108.676 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.9 mm -134.48 145.72 32.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.1 m -140.46 148.97 41.95 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.555 HG23 HH21 ' A' ' 6' ' ' ARG . 2.8 tp -108.22 94.59 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -66.13 -27.97 68.44 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -173.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.444 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 155.99 -169.95 33.68 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 118.141 0.428 . . . . 0.0 112.151 177.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -131.94 161.97 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 CA-C-O 121.047 0.451 . . . . 0.0 111.181 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.5 t -150.99 90.39 1.61 Allowed 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 176.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.83 -135.46 28.39 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -173.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -75.32 -17.36 60.27 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 117.72 0.76 . . . . 0.0 110.267 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.9 149.96 47.28 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.4 t -137.97 119.27 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 105.799 -1.926 . . . . 0.0 105.799 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -87.94 127.76 35.37 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mt -135.35 155.22 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -169.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.15 154.79 21.17 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.161 -1.175 . . . . 0.0 110.161 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.8 mt -140.59 144.09 27.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -176.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -140.53 107.67 5.48 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.54 157.96 40.92 Favored Pre-proline 0 C--O 1.234 0.262 0 C-N-CA 123.809 0.844 . . . . 0.0 109.212 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -64.58 159.79 43.06 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.448 2.765 . . . . 0.0 110.858 175.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -71.82 -0.53 11.41 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-O 121.025 0.441 . . . . 0.0 109.887 172.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.87 -11.61 56.41 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.704 1.201 . . . . 0.0 110.673 172.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -138.53 168.34 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.028 0.931 . . . . 0.0 109.66 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.19 155.88 22.26 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.326 -0.234 . . . . 0.0 110.819 -176.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.99 130.33 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -155.41 174.63 14.97 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.474 0.709 . . . . 0.0 109.511 177.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -73.56 164.04 27.2 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -60.88 -27.41 68.12 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.391 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -65.89 -38.26 88.29 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.976 0.511 . . . . 0.0 111.1 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -91.69 -29.36 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 122.19 0.196 . . . . 0.0 110.81 -173.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -54.17 -29.83 47.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.521 0.728 . . . . 0.0 111.622 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -61.48 -15.8 41.22 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.538 0.735 . . . . 0.0 112.457 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -83.56 -41.05 18.34 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.454 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 1.1 mp -65.86 -14.67 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 124.354 1.062 . . . . 0.0 109.404 -178.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -110.26 3.12 19.68 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -138.43 -3.59 1.71 Allowed 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.55 -11.53 0.03 OUTLIER Glycine 0 CA--C 1.526 0.764 0 CA-C-N 119.12 0.873 . . . . 0.0 113.244 178.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.49 ' N ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 69.9 174.88 0.29 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.603 1.561 . . . . 0.0 111.913 170.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.2 t -144.23 9.19 1.44 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.357 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.6 71.37 8.18 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 123.025 0.53 . . . . 0.0 110.647 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.41 174.22 0.1 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 124.605 3.537 . . . . 0.0 114.005 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 CA--C 1.529 0.151 0 C-N-CA 124.28 1.032 . . . . 0.0 112.58 179.915 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 C3'-C2'-C1' 104.527 3.363 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 O4'-C1'-N19 110.999 2.799 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ' A' . . . . . 0.488 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.821 0 O4'-C1'-N19 111.162 2.962 . 0.078 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.488 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 C3'-C2'-C1' 104.003 2.781 . 0.132 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.435 1 O4'-C1'-N19 113.301 5.101 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C5'-C4'-C3' 110.887 -3.076 . 0.122 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ' C' . . . . . 0.483 HO2' " C5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 C5'-C4'-C3' 111.368 -2.754 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.483 " C5'" HO2' ' B' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.848 0 C5'-C4'-C3' 109.681 -3.88 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . 0.426 " H3'" " H2'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C5'-C4'-C3' 111.946 -2.369 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.402 ' C ' HD13 ' C' ' 3' ' ' ILE . 5.2 mt -134.51 151.92 51.44 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.506 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 4.5 mp -133.27 148.17 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -145.39 166.19 26.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.917 0.887 . . . . 0.0 110.082 -175.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.72 94.5 2.84 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.12 174.35 5.91 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 124.425 1.09 . . . . 0.0 109.431 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -131.53 171.2 13.7 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 118.535 0.607 . . . . 0.0 111.312 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.445 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.1 m -57.71 131.73 21.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.658 -171.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.98 0.71 58.65 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.392 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -104.98 178.37 4.58 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.091 0.946 . . . . 0.0 110.686 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 44.4 m -143.87 167.62 21.88 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -173.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 43.4 mt -143.37 165.16 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 125.809 1.643 . . . . 0.0 106.975 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -141.59 155.37 45.76 Favored 'General case' 0 N--CA 1.458 -0.075 0 O-C-N 121.443 -0.786 . . . . 0.0 112.241 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 52.7 mt -140.83 148.28 21.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 C-N-CA 124.176 0.99 . . . . 0.0 108.44 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.13 -138.78 38.64 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -129.94 10.41 5.47 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.575 0.75 . . . . 0.0 109.847 176.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -142.25 10.67 1.92 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.318 0.647 . . . . 0.0 112.016 -176.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -127.75 145.98 34.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 118.681 0.673 . . . . 0.0 110.353 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 46.3 m -140.05 155.16 47.18 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.5 mm -135.06 145.39 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 15.0 m -139.96 146.07 38.67 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.435 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.2 tp -105.65 95.69 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.32 -24.93 62.21 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -172.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.445 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.39 -173.98 35.52 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 118.057 0.39 . . . . 0.0 113.153 176.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -136.51 160.99 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 117.064 0.432 . . . . 0.0 111.714 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -150.21 89.03 1.55 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.603 1.161 . . . . 0.0 108.813 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.91 -102.4 1.54 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -106.64 -19.85 13.54 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 117.577 0.689 . . . . 0.0 109.289 172.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -68.26 149.03 49.97 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 53.0 t -138.27 116.67 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -77.79 121.07 23.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 mt -128.49 154.96 39.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.99 157.72 22.78 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.4 142.92 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -140.0 107.27 5.51 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -177.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.4 156.99 42.54 Favored Pre-proline 0 N--CA 1.452 -0.348 0 C-N-CA 123.421 0.688 . . . . 0.0 109.858 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.56 158.21 51.1 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 123.277 2.651 . . . . 0.0 110.799 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -72.45 -0.65 13.15 Favored 'General case' 0 CA--C 1.527 0.081 0 CA-C-O 120.981 0.419 . . . . 0.0 110.406 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.4 -7.26 48.82 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.539 1.136 . . . . 0.0 111.218 173.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -136.77 168.58 21.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 123.653 0.781 . . . . 0.0 109.177 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.03 156.83 20.7 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.822 0.344 . . . . 0.0 111.391 -175.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -156.06 125.04 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -151.05 171.0 18.02 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 36.9 mtp-105 -71.33 160.94 31.89 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -61.75 -19.56 62.59 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.6 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -75.98 -50.25 15.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.128 0.571 . . . . 0.0 110.817 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.66 -30.23 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 122.807 0.443 . . . . 0.0 110.266 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.464 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 81.5 t80 -60.47 -30.52 69.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.737 0.415 . . . . 0.0 111.917 -177.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -74.28 -21.37 59.78 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.124 -0.36 . . . . 0.0 111.618 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -77.47 -18.76 56.84 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 93.0 mt -99.53 -44.35 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.256 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 77.1 mm-40 -72.71 3.07 5.49 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.31 -15.91 61.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.415 0.286 . . . . 0.0 111.659 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.63 19.62 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 CA-C-O 119.537 -0.59 . . . . 0.0 113.366 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -156.24 -168.19 2.66 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.231 1.016 . . . . 0.0 111.705 -171.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 33.1 m -139.15 -22.06 0.93 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.347 0.659 . . . . 0.0 110.041 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -161.26 104.93 1.23 Allowed Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 124.058 0.943 . . . . 0.0 108.685 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -48.13 -48.04 17.72 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.762 2.975 . . . . 0.0 113.295 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 N--CA 1.456 -0.151 0 C-N-CA 123.205 0.602 . . . . 0.0 110.509 -178.59 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 C5'-C4'-C3' 110.259 -3.494 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 C5'-C4'-C3' 110.704 -3.198 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 38' ' ' ' A' . . . . . 0.447 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 O4'-C1'-N19 111.051 2.851 . 0.103 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 39' ' ' ' G' . . . . . 0.447 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 C3'-C2'-C1' 103.928 2.698 . 0.057 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.447 1 O4'-C1'-N19 113.192 4.992 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 41' ' ' ' A' . . . . . 0.414 ' C8 ' HD11 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.017 1 C5'-C4'-C3' 109.45 -4.034 . 0.094 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 42' ' ' ' C' . . . . . 0.506 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 O4'-C1'-N19 111.871 3.671 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.492 " O4'" ' C6 ' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.41 -3.582 0 O3'-P-O5' 98.7 -2.79 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . 0.492 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.108 0 O4'-C1'-N19 111.46 3.26 . 0.197 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mt -140.2 156.16 46.62 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 172.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -136.3 131.79 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 174.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -127.21 158.02 38.24 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 125.173 1.389 . . . . 0.0 108.302 -175.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -141.4 102.72 4.27 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.736 0.303 . . . . 0.0 110.31 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.534 HH22 ' HB ' ' C' ' 30' ' ' VAL . 0.0 OUTLIER -132.6 170.75 14.75 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.42 ' HE3' ' OE1' ' C' ' 29' ' ' GLN . 7.9 ptpp? -114.5 175.26 5.56 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 -171.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.412 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 14.6 m -58.77 138.63 19.58 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 CA-C-O 121.034 0.445 . . . . 0.0 111.54 -174.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.46 -12.3 67.91 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.472 -0.627 . . . . 0.0 112.609 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -85.67 -178.83 6.74 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.116 0.958 . . . . 0.0 111.446 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -145.58 165.26 29.17 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.207 0.603 . . . . 0.0 111.584 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.9 mt -143.85 164.28 14.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -137.92 155.68 48.66 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 119.381 0.991 . . . . 0.0 112.562 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.7 mt -141.92 147.66 21.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 C-N-CA 124.054 0.942 . . . . 0.0 108.517 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.91 -140.88 33.9 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -129.21 10.4 5.8 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.739 0.815 . . . . 0.0 109.767 176.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -142.04 10.78 1.97 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.428 0.691 . . . . 0.0 111.616 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -129.1 144.31 38.57 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 CA-C-N 118.707 0.685 . . . . 0.0 110.894 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.0 m -140.85 155.23 46.38 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.2 mm -132.35 145.56 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 m -141.75 147.68 37.75 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -105.54 108.09 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mt -75.28 -24.87 57.61 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.685 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 150.64 -169.83 30.5 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 174.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 m -135.57 163.86 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 117.48 0.64 . . . . 0.0 111.596 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -151.1 103.04 3.0 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.184 0.994 . . . . 0.0 108.671 175.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.87 -102.62 1.0 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -111.03 -14.69 13.88 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -70.45 148.74 47.96 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.5 t -136.73 109.77 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -83.99 128.21 34.4 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -130.02 155.31 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -170.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.2 153.09 19.33 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 176.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.1 mt -140.55 145.55 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -175.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -139.94 106.62 5.36 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -176.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.75 155.53 41.26 Favored Pre-proline 0 N--CA 1.452 -0.363 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.661 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.05 158.74 46.12 Favored 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 123.49 2.793 . . . . 0.0 111.213 176.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -72.33 -1.56 15.9 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.899 0.381 . . . . 0.0 110.749 175.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -72.21 -7.09 47.35 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.63 1.172 . . . . 0.0 110.818 174.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -138.39 168.36 19.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.46 157.75 20.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.574 0.225 . . . . 0.0 111.222 -175.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -155.79 125.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 123.07 0.548 . . . . 0.0 109.605 177.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -156.19 172.02 19.17 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.613 0.765 . . . . 0.0 109.442 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.421 HH22 ' HB2' ' C' ' 4' ' ' LEU . 8.9 ptp180 -78.07 166.66 22.53 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 175.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -61.15 -21.19 63.54 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -73.49 -47.55 40.3 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.816 -0.552 . . . . 0.0 110.518 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -76.15 -26.8 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -59.28 -32.23 69.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 122.274 -0.266 . . . . 0.0 111.608 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -67.6 -16.73 64.33 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.672 0.789 . . . . 0.0 112.827 -176.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -82.85 -22.5 34.04 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 118.178 0.444 . . . . 0.0 111.808 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.3 mt -90.56 -63.34 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -166.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.74 3.54 0.52 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.581 0.752 . . . . 0.0 112.712 179.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.48 -16.63 49.06 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.75 21.97 0.29 Allowed Glycine 0 C--N 1.339 0.733 0 CA-C-O 119.454 -0.637 . . . . 0.0 112.485 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.97 -27.31 0.21 Allowed 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -172.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.6 m 48.31 18.73 0.17 Allowed 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -176.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.19 65.25 3.51 Favored Pre-proline 0 CA--C 1.533 0.31 0 O-C-N 121.514 -0.741 . . . . 0.0 111.534 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -52.94 171.83 0.21 Allowed 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 124.31 3.34 . . . . 0.0 114.818 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.541 175.269 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 O4'-C1'-N19 112.14 3.94 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 C5'-C4'-C3' 110.341 -3.439 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ' A' . . . . . 0.459 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.907 0 O4'-C1'-N19 111.798 3.598 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.459 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C3'-C2'-C1' 103.787 2.541 . 0.041 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 1 O4'-C1'-N19 112.719 4.519 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.289 0 C5'-C4'-C3' 111.144 -2.904 . 0.108 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ' C' . . . . . 0.545 HO2' " C5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.006 0 N19-C1'-C2' 109.743 -2.285 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.545 " C5'" HO2' ' B' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C4'-C3'-C2' 98.804 -3.896 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 0 C3'-C2'-C1' 104.684 3.538 . 0.051 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.8 tpt . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.403 ' C ' HD13 ' C' ' 3' ' ' ILE . 2.6 mt -140.03 150.62 44.62 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 174.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.403 HD13 ' C ' ' C' ' 2' ' ' LEU . 4.5 mp -138.49 133.47 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.421 ' HB2' HH22 ' A' ' 44' ' ' ARG . 1.2 pp -163.14 165.56 24.43 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.9 m -115.71 151.52 34.95 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.289 0.566 . . . . 0.0 110.571 -173.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -144.89 162.37 37.02 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.125 1.37 . . . . 0.0 107.431 -176.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -128.8 168.04 16.46 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 119.743 1.156 . . . . 0.0 110.335 169.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.434 ' HA ' HG13 ' C' ' 22' ' ' ILE . 7.8 m -56.82 134.44 21.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.988 -171.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.41 -0.63 63.7 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.395 -0.669 . . . . 0.0 112.83 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -106.38 -178.91 3.79 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.272 1.036 . . . . 0.0 110.378 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 39.9 m -143.09 167.8 21.24 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -173.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mm -141.31 165.7 18.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 126.631 1.972 . . . . 0.0 106.958 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -139.56 153.95 47.53 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.551 0.614 . . . . 0.0 112.163 -176.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 53.7 mt -141.14 147.36 22.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 123.961 0.904 . . . . 0.0 108.829 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.03 -141.17 37.56 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -129.2 10.46 5.81 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.154 0.582 . . . . 0.0 109.607 176.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -141.9 11.31 2.01 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.398 0.679 . . . . 0.0 111.737 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.49 145.93 34.97 Favored 'Isoleucine or valine' 0 C--N 1.342 0.245 0 CA-C-N 118.667 0.667 . . . . 0.0 110.634 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 56.6 m -141.25 155.67 45.99 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.604 0.762 . . . . 0.0 109.112 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -135.03 143.34 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 32.8 m -142.9 121.76 12.72 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.434 HG13 ' HA ' ' C' ' 8' ' ' VAL . 2.0 tp -79.92 100.52 4.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mt -69.94 -30.85 68.33 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.187 -0.321 . . . . 0.0 111.447 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.433 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.69 -172.53 35.57 Favored Glycine 0 C--N 1.341 0.817 0 C-N-CA 121.61 -0.329 . . . . 0.0 112.748 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -132.66 164.16 35.85 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-O 121.06 0.457 . . . . 0.0 111.624 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 46.2 t -152.35 92.13 1.66 Allowed 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 124.062 0.945 . . . . 0.0 109.195 176.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.29 -102.01 1.79 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 -178.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -112.61 -16.17 12.88 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 172.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.42 ' OE1' ' HE3' ' A' ' 7' ' ' LYS . 3.3 mp0 -67.53 148.39 51.53 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . 0.534 ' HB ' HH22 ' A' ' 6' ' ' ARG . 63.1 t -138.39 113.37 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -87.29 128.75 35.17 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -133.02 153.52 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -175.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.3 156.72 15.53 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 56.3 mt -140.69 142.98 29.61 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -140.33 107.37 5.45 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.34 156.62 42.74 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 123.601 0.76 . . . . 0.0 109.959 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.27 158.8 50.43 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 123.378 2.719 . . . . 0.0 111.137 175.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -73.19 -0.88 15.54 Favored 'General case' 0 C--N 1.339 0.112 0 O-C-N 122.172 -0.33 . . . . 0.0 110.877 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.2 -6.72 41.71 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.005 0.922 . . . . 0.0 110.705 172.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -138.92 168.5 19.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 123.974 0.909 . . . . 0.0 108.892 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.23 158.5 18.89 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 111.149 -176.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -158.69 128.87 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -154.87 170.73 20.99 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.718 0.407 . . . . 0.0 110.055 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 26.1 ttp-105 -73.34 158.34 35.27 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 173.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -57.99 -24.7 59.24 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.17 0.441 . . . . 0.0 110.415 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.08 -35.23 74.04 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.501 0.72 . . . . 0.0 111.457 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -91.28 -30.42 4.81 Favored 'Isoleucine or valine' 0 C--N 1.338 0.096 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.407 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 84.8 t80 -54.01 -29.68 44.4 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.877 0.471 . . . . 0.0 111.492 -177.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -62.85 -14.91 51.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.512 0.725 . . . . 0.0 112.54 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -84.51 -42.17 15.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . 0.45 ' N ' ' CD1' ' C' ' 51' ' ' ILE . 1.2 mp -65.48 -10.21 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.488 1.115 . . . . 0.0 109.555 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.407 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 62.9 mm-40 -120.09 3.17 10.96 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -143.88 1.69 1.15 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.87 -13.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 CA-C-N 118.692 0.678 . . . . 0.0 112.098 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 58.02 171.59 0.05 Allowed 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.983 2.113 . . . . 0.0 113.35 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 66.6 p -140.66 1.51 1.73 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.424 -177.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.25 63.41 4.17 Favored Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 122.888 0.475 . . . . 0.0 110.785 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -45.43 -36.4 13.24 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 124.311 3.341 . . . . 0.0 114.329 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 N--CA 1.452 -0.359 0 C-N-CA 122.244 0.218 . . . . 0.0 111.354 -174.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 0 C5'-C4'-C3' 110.183 -3.545 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 0 O4'-C1'-N19 111.019 2.819 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 38' ' ' ' A' . . . . . 0.507 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 O4'-C1'-N19 110.989 2.789 . 0.043 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 39' ' ' ' G' . . . . . 0.507 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.034 0 P-O3'-C3' 122.572 2.393 . 0.012 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 1 O4'-C1'-N19 113.852 5.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.379 0 C5'-C4'-C3' 110.818 -3.122 . 0.167 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 42' ' ' ' C' . . . . . 0.436 " C3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.456 1 O4'-C1'-N19 112.543 4.343 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.545 " O4'" ' C6 ' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.409 -3.687 0 C4'-C3'-C2' 99.069 -3.631 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . 0.545 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 O4'-C1'-N19 111.713 3.513 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mt -138.81 152.54 47.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.495 ' CD1' " H4'" ' B' ' 42' ' ' ' C' . 4.8 mp -135.7 148.68 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -148.17 169.7 19.45 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.622 0.769 . . . . 0.0 110.17 -175.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -133.63 97.86 4.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 172.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -101.99 163.15 12.4 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 125.088 1.355 . . . . 0.0 108.031 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -129.13 167.53 17.44 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 118.877 0.762 . . . . 0.0 110.885 173.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.475 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 5.8 m -56.11 131.99 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.298 -170.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.95 -4.14 57.43 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.498 177.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -105.55 -179.1 3.84 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.326 1.063 . . . . 0.0 111.108 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 m -141.96 168.48 19.64 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mm -141.39 163.44 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 126.978 2.111 . . . . 0.0 107.129 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -137.8 153.99 49.6 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.73 -0.606 . . . . 0.0 112.205 -175.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.7 mt -141.26 148.29 21.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 123.725 0.81 . . . . 0.0 109.094 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.79 -138.27 38.23 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -129.89 10.5 5.5 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.45 0.7 . . . . 0.0 109.978 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -143.37 11.06 1.7 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.13 0.572 . . . . 0.0 111.83 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.85 145.16 36.1 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 CA-C-N 118.943 0.792 . . . . 0.0 110.834 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 m -141.31 155.78 45.93 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.4 mm -134.63 146.78 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -140.81 145.49 36.36 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.432 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.6 tp -106.11 94.35 3.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -67.46 -27.67 67.23 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -173.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.475 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.63 -173.31 35.63 Favored Glycine 0 C--N 1.34 0.778 0 CA-C-N 118.435 0.561 . . . . 0.0 112.742 177.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -136.37 163.3 34.06 Favored 'Isoleucine or valine' 0 C--N 1.34 0.164 0 CA-C-N 117.042 0.421 . . . . 0.0 111.421 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.3 t -152.81 89.57 1.4 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.968 0.907 . . . . 0.0 108.945 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.51 -102.08 1.58 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.076 -1.209 . . . . 0.0 110.076 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -106.85 -16.78 14.38 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 173.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -69.47 148.19 49.87 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.0 t -139.74 114.68 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 ttt-85 -85.72 127.92 34.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -134.02 154.9 38.84 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -170.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.96 156.54 21.22 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.9 mt -140.54 142.23 31.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -140.37 106.05 5.13 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.75 158.0 40.21 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.693 0.797 . . . . 0.0 109.887 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -65.03 159.87 44.4 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 123.154 2.57 . . . . 0.0 110.992 175.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -71.44 -1.59 13.69 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.187 0.518 . . . . 0.0 109.652 173.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.04 -12.37 54.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.087 1.355 . . . . 0.0 110.759 173.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 m -135.96 168.33 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 123.995 0.918 . . . . 0.0 108.767 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.92 157.93 20.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 120.634 0.254 . . . . 0.0 110.375 -176.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.61 125.77 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 177.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -154.02 171.3 19.28 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 122.811 0.444 . . . . 0.0 110.343 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -69.72 157.04 38.04 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 175.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -57.93 -27.86 63.75 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.187 -0.321 . . . . 0.0 110.388 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -63.88 -50.31 69.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.002 0.521 . . . . 0.0 110.314 176.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.3 mm -76.37 -29.29 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.624 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -56.66 -29.53 62.4 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.012 0.525 . . . . 0.0 111.505 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -64.32 -14.53 56.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.966 0.506 . . . . 0.0 111.726 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -81.85 -35.87 28.87 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.485 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 1.0 OUTLIER -70.15 -9.77 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.504 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -116.09 -7.99 11.84 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -150.19 4.1 0.53 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.65 1.114 . . . . 0.0 113.751 -177.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.72 56.69 0.24 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 107.933 -2.067 . . . . 0.0 107.933 -176.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.625 HD23 ' H ' ' A' ' 55' ' ' LEU . 1.6 mm? -44.36 152.22 0.21 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.195 1.798 . . . . 0.0 114.153 -167.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.3 p -133.46 8.72 3.95 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.14 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.99 72.77 10.31 Favored Pre-proline 0 CA--C 1.534 0.342 0 C-N-CA 124.43 1.092 . . . . 0.0 109.144 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -42.85 -38.15 6.57 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 125.193 3.929 . . . . 0.0 115.693 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.761 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 O4'-C1'-N19 112.035 3.835 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 1 O4'-C1'-N19 112.461 4.261 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ' A' . . . . . 0.483 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O4'-C1'-N19 111.595 3.395 . 0.182 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.483 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C3'-C2'-C1' 103.794 2.549 . 0.063 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . 0.411 " O2'" ' HE2' ' C' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.426 -2.285 1 O4'-C1'-N19 115.141 6.941 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ' A' . . . . . 0.401 ' C8 ' ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.998 0 C5'-C4'-C3' 110.038 -3.641 . 0.149 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ' C' . . . . . 0.495 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 O4'-C1'-N19 111.699 3.499 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.427 " H4'" " C5'" ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.251 0 O3'-P-O5' 98.889 -2.69 . 0.096 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . 0.427 " C5'" " H4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 O4'-C1'-N19 111.325 3.125 . 0.01 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.6 tpt . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 119.549 -0.262 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mt -134.45 153.72 51.77 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.502 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 4.5 mp -135.21 152.2 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.0 mt -145.13 165.66 27.65 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.981 0.912 . . . . 0.0 109.65 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.29 100.2 4.06 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 170.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.569 HH21 HG21 ' C' ' 22' ' ' ILE . 9.6 ttp180 -116.16 176.57 5.04 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.339 1.055 . . . . 0.0 109.898 -174.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -131.8 170.48 14.78 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 118.27 0.486 . . . . 0.0 112.228 176.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.446 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.7 m -56.23 129.95 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.757 -173.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.92 -19.47 35.34 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.241 -0.755 . . . . 0.0 113.498 177.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.71 177.54 7.0 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.7 1.25 . . . . 0.0 111.835 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -142.61 163.95 31.43 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.745 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 39.5 mm -139.71 167.29 19.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 126.051 1.74 . . . . 0.0 107.447 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -136.04 153.7 51.27 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.272 0.487 . . . . 0.0 111.91 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 51.2 mt -140.1 154.17 23.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 C-N-CA 124.274 1.03 . . . . 0.0 108.673 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.66 -140.28 41.06 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -129.74 10.22 5.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.635 0.774 . . . . 0.0 109.296 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -146.81 13.64 1.16 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.367 0.667 . . . . 0.0 111.885 -176.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -127.03 148.41 31.85 Favored 'Isoleucine or valine' 0 C--N 1.343 0.303 0 CA-C-N 119.085 0.857 . . . . 0.0 110.804 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.0 m -141.07 154.75 46.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -133.71 146.38 31.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -141.86 148.18 38.36 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.569 HG21 HH21 ' C' ' 6' ' ' ARG . 2.2 tp -106.73 94.57 3.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 mt -66.51 -28.21 68.38 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.121 -0.362 . . . . 0.0 111.7 -173.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.446 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.26 -173.11 35.39 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 118.096 0.407 . . . . 0.0 112.33 175.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.44 159.57 38.03 Favored 'Isoleucine or valine' 0 C--N 1.34 0.178 0 CA-C-N 117.276 0.538 . . . . 0.0 111.216 178.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 55.7 m -150.92 90.66 1.64 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 124.479 1.111 . . . . 0.0 108.664 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.25 -109.26 2.73 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -177.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -103.03 -16.95 15.64 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.98 145.15 53.84 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 81.9 t -137.38 114.26 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -85.46 125.27 32.9 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -129.83 152.95 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 123.344 0.402 . . . . 0.0 109.943 -171.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.16 154.41 18.9 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 109.999 -1.241 . . . . 0.0 109.999 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -140.32 139.82 35.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -137.98 105.99 5.7 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.17 155.95 50.58 Favored Pre-proline 0 N--CA 1.448 -0.54 0 C-N-CA 123.733 0.813 . . . . 0.0 108.868 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -62.02 153.98 65.15 Favored 'Trans proline' 0 N--CA 1.445 -1.37 0 C-N-CA 122.278 1.985 . . . . 0.0 110.105 178.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . 0.411 ' HE2' " O2'" ' B' ' 40' ' ' ' G' . 32.3 mmtp -66.03 -4.61 7.53 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.744 0.307 . . . . 0.0 110.308 177.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -74.19 -7.29 52.15 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 125.88 1.672 . . . . 0.0 112.7 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 24.8 m -132.98 168.41 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.75 154.69 19.67 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 120.975 0.417 . . . . 0.0 111.624 -175.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -157.88 127.51 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.165 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -153.63 172.86 16.57 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.72 0.408 . . . . 0.0 109.913 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 mtp-105 -72.0 158.9 35.14 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -59.01 -27.1 65.12 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.127 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -66.43 -38.03 86.51 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.152 0.581 . . . . 0.0 111.469 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.9 mm -90.95 -27.99 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-O 120.613 0.244 . . . . 0.0 110.775 -172.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.406 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 84.2 t80 -55.49 -28.75 56.46 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.446 0.699 . . . . 0.0 111.409 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -63.45 -14.1 47.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.371 0.669 . . . . 0.0 112.06 -177.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -85.09 -42.99 14.29 Favored 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . 0.458 ' N ' ' CD1' ' C' ' 51' ' ' ILE . 1.1 mp -64.27 -11.4 10.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 124.183 0.993 . . . . 0.0 109.556 -178.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.406 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 66.2 mm-40 -119.2 2.08 11.37 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 178.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -144.86 1.29 1.0 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.96 -9.96 0.03 OUTLIER Glycine 0 CA--C 1.528 0.863 0 CA-C-N 118.794 0.725 . . . . 0.0 112.189 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 52.63 -170.01 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.749 2.019 . . . . 0.0 113.072 177.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 79.0 p -130.89 7.75 4.76 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 122.82 0.448 . . . . 0.0 110.713 -178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.59 119.41 2.43 Favored Pre-proline 0 N--CA 1.453 -0.283 0 C-N-CA 123.397 0.679 . . . . 0.0 109.557 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -50.28 -41.98 48.89 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.777 2.985 . . . . 0.0 112.963 176.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -175.543 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 C5'-C4'-C3' 110.843 -3.105 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C5'-C4'-C3' 111.03 -2.98 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 38' ' ' ' A' . . . . . 0.452 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.668 2 O4'-C1'-N19 112.87 4.67 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' D' D ' 39' ' ' ' G' . . . . . 0.452 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 C3'-C2'-C1' 104.129 2.921 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 1 O4'-C1'-N19 113.595 5.395 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 0 C5'-C4'-C3' 110.024 -3.65 . 0.089 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 42' ' ' ' C' . . . . . 0.502 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.974 0 O4'-C1'-N19 111.794 3.594 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 O3'-P-O5' 98.631 -2.826 . 0.144 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 C5'-C4'-C3' 111.001 -3.0 . 0.464 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 tpt . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mt -140.51 152.73 45.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 176.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.503 ' CD1' " H4'" ' B' ' 42' ' ' ' C' . 4.3 mp -135.39 146.54 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 176.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.6 mt -147.32 168.47 21.7 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.881 0.872 . . . . 0.0 109.671 -176.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -130.86 97.24 4.28 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 173.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -103.8 157.33 17.15 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.921 1.689 . . . . 0.0 108.175 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -118.94 170.8 8.72 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 119.678 1.126 . . . . 0.0 111.379 173.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.47 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 12.1 m -57.48 135.6 21.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.93 -173.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.34 -0.6 66.13 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.303 176.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -105.77 -178.36 3.63 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 117.877 0.838 . . . . 0.0 110.385 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.5 m -141.35 168.38 19.92 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -173.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 mm -140.98 166.05 18.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 126.458 1.903 . . . . 0.0 107.032 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -140.66 153.98 46.22 Favored 'General case' 0 N--CA 1.458 -0.075 0 O-C-N 121.315 -0.866 . . . . 0.0 111.652 -174.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.2 mt -141.72 147.78 21.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 C-N-CA 123.853 0.861 . . . . 0.0 109.02 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.88 -139.72 27.8 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -178.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -130.09 11.0 5.47 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.285 0.634 . . . . 0.0 110.244 176.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -138.97 10.21 2.6 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.395 0.678 . . . . 0.0 111.774 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.19 145.14 36.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.158 0 CA-C-N 118.841 0.746 . . . . 0.0 110.683 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.9 m -141.38 156.23 45.84 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.8 mm -135.31 148.79 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -139.21 155.55 47.72 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -178.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.413 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 tp -121.3 86.97 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 mt -63.8 -28.46 69.88 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.941 -0.475 . . . . 0.0 112.001 -171.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.47 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.39 -174.09 38.76 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-N 118.434 0.561 . . . . 0.0 113.119 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.92 163.95 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 121.1 0.476 . . . . 0.0 111.396 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.1 t -151.42 89.65 1.51 Allowed 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 123.954 0.902 . . . . 0.0 108.886 175.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.33 -102.57 1.38 Allowed Glycine 0 CA--C 1.528 0.847 0 N-CA-C 109.744 -1.343 . . . . 0.0 109.744 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -106.33 -17.0 14.42 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 117.305 0.552 . . . . 0.0 109.629 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.42 ' HA ' HE21 ' A' ' 29' ' ' GLN . 0.8 OUTLIER -70.34 147.7 49.3 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.6 t -136.61 119.73 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HG3' ' H61' ' D' ' 43' ' ' ' A' . 0.0 OUTLIER -87.17 118.32 26.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.413 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -125.83 151.24 31.79 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.14 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -171.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.61 155.78 19.09 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.6 mt -142.04 143.26 26.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -176.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -140.33 107.36 5.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.83 156.35 41.08 Favored Pre-proline 0 N--CA 1.451 -0.394 0 C-N-CA 123.545 0.738 . . . . 0.0 110.135 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.27 159.1 48.83 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 123.652 2.902 . . . . 0.0 111.324 175.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -73.25 -0.75 15.32 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.696 0.284 . . . . 0.0 110.475 174.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -71.16 -6.33 38.6 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.889 0.876 . . . . 0.0 110.717 172.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m -138.95 168.25 19.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 C-N-CA 123.864 0.865 . . . . 0.0 109.087 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.61 158.66 18.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.823 0.344 . . . . 0.0 111.061 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -158.43 131.88 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 174.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -153.6 170.78 19.99 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -65.47 152.09 44.8 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 171.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -64.75 -10.32 26.69 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.616 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -74.94 -48.01 26.67 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.079 0.551 . . . . 0.0 109.852 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.27 -29.7 28.78 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 C-N-CA 123.153 0.581 . . . . 0.0 110.36 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.42 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 75.4 t80 -62.29 -30.38 71.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.203 -0.311 . . . . 0.0 111.443 -178.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -75.26 -21.27 58.68 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.153 -0.342 . . . . 0.0 111.354 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -75.84 -18.1 59.58 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.8 mt -99.11 -44.75 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 122.979 0.511 . . . . 0.0 109.925 -174.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.42 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 76.7 mm-40 -71.58 3.16 4.18 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 122.134 -0.354 . . . . 0.0 111.905 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.41 -17.52 64.6 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 122.091 -0.381 . . . . 0.0 111.423 176.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.65 19.45 0.06 OUTLIER Glycine 0 CA--C 1.527 0.783 0 CA-C-O 119.432 -0.649 . . . . 0.0 113.861 177.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -156.57 -171.68 3.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.396 1.098 . . . . 0.0 112.099 -171.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.3 m -142.89 6.56 1.59 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.914 0.486 . . . . 0.0 110.565 176.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.76 77.29 7.87 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 123.037 0.535 . . . . 0.0 110.41 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -49.67 153.7 5.31 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 124.741 3.627 . . . . 0.0 114.019 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 CA--C 1.539 0.529 0 C-N-CA 124.592 1.157 . . . . 0.0 113.035 175.868 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 O4'-C1'-N19 110.555 2.355 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C5'-C4'-C3' 110.847 -3.102 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ' A' . . . . . 0.532 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 O4'-C1'-N19 111.578 3.378 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.532 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 C3'-C2'-C1' 103.869 2.632 . 0.077 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 3 O4'-C1'-N19 115.552 7.352 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 C4'-C3'-C2' 100.247 -2.453 . 0.32 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ' C' . . . . . 0.503 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.411 -3.474 0 C4'-C3'-C2' 99.288 -3.412 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 O4'-C1'-N19 111.671 3.471 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.828 0 C5'-C4'-O4' 113.231 2.88 . 0.0 OUTLIER '7D dist 5p wannabe' 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpt . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 119.579 -0.248 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mt -140.38 152.88 46.11 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.167 0.439 . . . . 0.0 110.16 176.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -136.79 148.12 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -146.2 165.64 28.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.818 0.847 . . . . 0.0 110.148 -175.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -135.15 96.37 3.48 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 121.235 0.541 . . . . 0.0 109.595 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.08 -178.84 3.87 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 124.231 1.013 . . . . 0.0 108.876 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -133.28 173.35 11.55 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 172.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.447 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 9.4 m -60.89 132.9 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-O 121.177 0.513 . . . . 0.0 111.25 -174.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.56 -8.97 62.31 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.947 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -87.5 178.56 6.77 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 118.014 0.907 . . . . 0.0 111.336 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.5 m -145.43 168.72 19.87 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.085 0.554 . . . . 0.0 111.901 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 34.9 mt -146.48 164.3 8.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 125.804 1.642 . . . . 0.0 107.042 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -133.94 153.75 51.55 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.319 0.963 . . . . 0.0 111.929 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 45.3 mt -142.07 141.42 28.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 177.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.36 -139.37 38.45 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -175.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -131.3 10.5 4.88 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.033 0.533 . . . . 0.0 109.705 175.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -138.28 9.57 2.73 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.31 0.644 . . . . 0.0 111.692 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.37 141.35 46.14 Favored 'Isoleucine or valine' 0 C--N 1.337 0.053 0 CA-C-N 118.633 0.651 . . . . 0.0 109.752 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -137.46 157.12 47.26 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -133.07 147.81 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -143.61 144.2 31.81 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -106.06 100.63 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 177.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.432 HD11 " H1'" ' B' ' 42' ' ' ' C' . 12.9 mt -71.71 -28.87 63.99 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 122.01 -0.431 . . . . 0.0 111.312 -174.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.447 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.77 -174.15 37.38 Favored Glycine 0 C--N 1.339 0.73 0 CA-C-N 118.286 0.494 . . . . 0.0 113.178 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.31 162.59 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-O 121.023 0.44 . . . . 0.0 111.694 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -150.91 89.26 1.52 Allowed 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.04 -102.49 1.24 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -107.55 -18.98 13.7 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 117.392 0.596 . . . . 0.0 109.821 175.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -69.72 147.9 49.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 176.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -138.34 116.44 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -80.17 115.87 19.97 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -123.6 151.21 28.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -175.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 154.54 19.32 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.2 mt -140.33 137.74 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -175.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -133.42 98.52 4.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -174.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.68 153.32 61.45 Favored Pre-proline 0 N--CA 1.452 -0.352 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.82 151.88 81.75 Favored 'Trans proline' 0 N--CA 1.444 -1.402 0 C-N-CA 122.473 2.115 . . . . 0.0 109.771 176.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -63.7 -8.48 10.4 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-O 121.461 0.648 . . . . 0.0 110.846 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.62 -8.99 16.38 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 125.483 1.513 . . . . 0.0 112.164 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -134.29 168.03 24.73 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.89 154.52 19.54 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.71 -0.396 . . . . 0.0 112.005 -174.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -160.36 130.58 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.16 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -157.07 171.87 19.69 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 124.336 1.054 . . . . 0.0 108.886 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -82.17 164.19 21.43 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 171.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -22.18 48.98 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -174.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -65.31 -43.23 91.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 119.034 0.834 . . . . 0.0 109.998 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.01 -28.79 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -63.64 -35.31 80.11 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.973 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -67.08 -13.7 62.18 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.507 0.723 . . . . 0.0 112.581 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -86.59 -23.07 25.89 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 118.333 0.515 . . . . 0.0 112.102 174.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 56.1 mt -89.06 -59.9 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 -167.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.424 ' NE2' ' N ' ' C' ' 52' ' ' GLN . 0.0 OUTLIER -59.71 -3.58 0.53 Allowed 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 178.232 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.67 -14.35 62.37 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 122.868 0.467 . . . . 0.0 111.209 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.75 25.44 0.05 OUTLIER Glycine 0 CA--C 1.527 0.795 0 CA-C-O 119.741 -0.477 . . . . 0.0 112.463 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 23.7 mt -127.54 -2.0 6.15 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.113 0.957 . . . . 0.0 112.919 -171.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 21.7 p -72.07 -9.32 58.25 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 118.331 0.514 . . . . 0.0 111.367 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.89 79.64 5.71 Favored Pre-proline 0 N--CA 1.452 -0.357 0 C-N-CA 123.432 0.693 . . . . 0.0 109.762 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.99 174.18 0.07 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 124.947 3.765 . . . . 0.0 114.371 177.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--O 1.232 0.136 0 C-N-CA 123.829 0.852 . . . . 0.0 112.65 -177.579 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 O4'-C1'-N19 112.178 3.978 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C5'-C4'-C3' 110.483 -3.345 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 38' ' ' ' A' . . . . . 0.449 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.972 0 O4'-C1'-N19 111.543 3.343 . 0.087 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 39' ' ' ' G' . . . . . 0.449 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C3'-C2'-C1' 104.286 3.095 . 0.057 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.542 1 O4'-C1'-N19 112.976 4.776 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C5'-C4'-C3' 110.237 -3.509 . 0.094 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 42' ' ' ' C' . . . . . 0.523 " C3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 C4'-C3'-C2' 98.896 -3.804 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.523 H5'' " C3'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.743 1 O4'-C1'-N19 114.961 6.761 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.44 0 C3'-C2'-C1' 104.182 2.98 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mt -140.13 156.3 46.61 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 174.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.4 ' CD1' ' C8 ' ' B' ' 41' ' ' ' A' . 4.1 mp -132.54 147.54 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -148.66 166.71 27.51 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.896 0.879 . . . . 0.0 110.479 -175.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -136.89 102.57 4.91 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.198 0.523 . . . . 0.0 109.836 171.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -105.15 163.61 12.45 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 124.412 1.085 . . . . 0.0 110.246 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' C' ' 28' ' ' GLN . 59.1 mtpt -118.69 167.43 11.67 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.418 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 11.3 m -62.36 129.19 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.368 -173.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.32 0.38 50.57 Favored Glycine 0 CA--C 1.53 0.98 0 CA-C-O 119.255 -0.747 . . . . 0.0 112.659 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -105.3 177.59 4.81 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.452 1.126 . . . . 0.0 110.859 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -143.48 166.79 23.81 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -173.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.6 mm -143.19 167.25 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 126.955 2.102 . . . . 0.0 106.931 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -139.04 157.11 46.58 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.322 -0.861 . . . . 0.0 112.536 -176.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.9 mt -141.24 148.04 21.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 124.176 0.99 . . . . 0.0 108.873 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.77 -140.28 30.58 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -128.58 10.35 6.11 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.526 0.73 . . . . 0.0 110.029 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -142.28 11.4 1.94 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.083 0.553 . . . . 0.0 111.516 -178.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.76 146.47 34.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 119.05 0.841 . . . . 0.0 110.789 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.8 m -140.82 157.51 45.28 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -135.52 146.44 29.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.7 m -142.57 146.51 34.67 Favored 'General case' 0 C--O 1.227 -0.112 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.75 95.11 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 178.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.11 -26.28 66.62 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.64 0.376 . . . . 0.0 111.975 -173.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 156.43 -172.31 34.19 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 118.112 0.415 . . . . 0.0 112.55 176.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 m -134.77 162.54 38.52 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 117.303 0.551 . . . . 0.0 111.524 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -150.37 89.55 1.58 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.289 1.035 . . . . 0.0 108.742 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.77 -102.64 1.33 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -107.42 -18.27 13.9 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 117.41 0.605 . . . . 0.0 109.796 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -68.11 147.74 51.9 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 175.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -136.24 116.41 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -86.17 127.15 34.67 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -132.22 155.01 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -170.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.15 154.45 20.57 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.5 mt -140.41 135.17 35.6 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -131.99 98.29 4.4 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.216 0.531 . . . . 0.0 109.942 -173.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.46 153.25 55.15 Favored Pre-proline 0 N--CA 1.447 -0.604 0 C-N-CA 124.398 1.079 . . . . 0.0 108.133 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.461 ' C ' ' H ' ' A' ' 39' ' ' ASP . 27.8 Cg_endo -62.23 152.89 73.54 Favored 'Trans proline' 0 N--CA 1.443 -1.463 0 C-N-CA 122.076 1.85 . . . . 0.0 109.452 176.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -2.99 2.67 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 121.821 0.82 . . . . 0.0 110.568 175.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 37' ' ' PRO . 19.3 t70 -63.39 -12.55 31.47 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 126.284 1.833 . . . . 0.0 111.897 173.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 m -132.86 166.77 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.759 0.824 . . . . 0.0 108.808 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.68 152.19 20.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.886 0.374 . . . . 0.0 111.043 -177.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -159.83 130.26 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 122.905 0.482 . . . . 0.0 109.809 173.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -155.87 172.11 18.92 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.84 0.856 . . . . 0.0 109.395 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -79.02 166.37 22.41 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 170.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -20.89 60.24 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -176.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -68.25 -48.44 65.09 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 118.477 0.581 . . . . 0.0 109.875 -178.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.14 -28.56 20.82 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -177.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.476 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 74.3 t80 -64.2 -38.36 90.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 122.359 -0.213 . . . . 0.0 111.065 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -68.11 -19.22 64.82 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.715 0.406 . . . . 0.0 111.896 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -76.58 -21.68 55.29 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.6 mt -99.45 -34.13 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.711 0.804 . . . . 0.0 110.955 -173.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.476 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 26.5 mm-40 -78.29 3.0 16.63 Favored 'General case' 0 C--O 1.231 0.112 0 O-C-N 122.195 -0.316 . . . . 0.0 111.69 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.43 -9.57 49.48 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 122.85 0.46 . . . . 0.0 110.985 174.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.05 44.51 0.17 Allowed Glycine 0 C--N 1.342 0.903 0 CA-C-O 119.486 -0.619 . . . . 0.0 112.12 176.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mt -135.29 2.59 3.03 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -169.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.463 ' CG2' HE22 ' A' ' 52' ' ' GLN . 47.1 p -71.28 -12.3 61.37 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.037 0.835 . . . . 0.0 111.951 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.43 71.03 5.54 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 123.632 0.773 . . . . 0.0 109.908 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -48.47 -38.29 34.95 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 124.362 3.375 . . . . 0.0 114.381 -177.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 t70 . . . . . 0 N--CA 1.454 -0.269 0 C-N-CA 122.501 0.32 . . . . 0.0 111.579 -175.279 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C5'-C4'-C3' 109.884 -3.744 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 1 O4'-C1'-N19 112.324 4.124 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ' A' . . . . . 0.46 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C5'-C4'-C3' 111.141 -2.906 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.46 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.375 1 C5'-C4'-C3' 108.241 -4.839 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.523 2 O4'-C1'-N19 115.516 7.316 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ' A' . . . . . 0.4 ' C8 ' ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.766 0 C5'-C4'-C3' 110.333 -3.444 . 0.131 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ' C' . . . . . 0.593 " C2'" " H5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C3'-C2'-C1' 104.331 3.146 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.622 " H4'" ' C6 ' ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.413 -3.374 0 O5'-C5'-C4' 114.123 2.802 OUTLIER-DELTA 0.01 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . 0.622 ' C6 ' " H4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 P--O5' 1.628 3.506 0 C5'-C4'-O4' 114.656 3.897 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mt -140.26 152.92 46.31 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.454 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 4.0 mp -128.88 140.07 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.441 HD12 ' C2 ' ' D' ' 38' ' ' ' A' . 4.2 mm? -132.61 163.37 29.05 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.261 1.424 . . . . 0.0 109.098 -173.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.88 110.34 7.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 169.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -125.41 151.02 46.72 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 124.402 1.081 . . . . 0.0 109.297 -172.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -114.0 168.8 9.5 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 119.385 0.993 . . . . 0.0 111.417 176.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.473 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 9.1 m -57.29 132.48 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.011 -172.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.22 1.1 61.15 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.428 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -110.32 -178.73 3.58 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 117.767 0.783 . . . . 0.0 110.223 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 43.8 m -143.28 168.7 19.17 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -170.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 58.7 mt -142.28 164.6 17.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 125.899 1.68 . . . . 0.0 106.61 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -140.67 153.73 46.1 Favored 'General case' 0 C--O 1.23 0.05 0 O-C-N 121.064 -1.023 . . . . 0.0 112.335 -173.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mt -141.26 150.46 19.98 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 C-N-CA 123.692 0.797 . . . . 0.0 109.096 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.03 -139.56 33.03 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -129.73 10.57 5.58 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.284 0.633 . . . . 0.0 109.738 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -143.2 11.34 1.75 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.435 0.694 . . . . 0.0 111.426 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.3 143.7 40.38 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 CA-C-N 118.929 0.786 . . . . 0.0 110.922 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -140.87 157.59 45.16 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -133.46 146.18 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.2 m -138.56 143.78 39.58 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.403 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.0 OUTLIER -105.46 91.36 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.783 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.504 ' CD1' " H1'" ' B' ' 42' ' ' ' C' . 16.8 mt -62.63 -31.73 72.63 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.853 -173.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.473 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 162.19 -173.15 38.46 Favored Glycine 0 C--N 1.337 0.602 0 O-C-N 122.124 -0.36 . . . . 0.0 112.335 178.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -134.45 163.29 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-O 121.054 0.454 . . . . 0.0 110.998 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -150.93 89.57 1.54 Allowed 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 176.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.47 -102.5 1.29 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . 0.43 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 23.6 mm100 -105.62 -18.31 14.12 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 117.022 0.411 . . . . 0.0 110.179 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -71.17 147.08 48.68 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 96.5 t -135.7 114.36 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 ttt-85 -88.11 126.44 35.12 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -130.12 155.23 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 -169.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.09 156.23 20.66 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 76.9 mt -140.21 134.71 36.09 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -131.97 98.67 4.5 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.191 0.52 . . . . 0.0 109.597 -173.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.42 153.28 55.34 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.214 176.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.455 ' C ' ' H ' ' C' ' 39' ' ' ASP . 30.9 Cg_endo -62.97 152.33 79.87 Favored 'Trans proline' 0 N--CA 1.442 -1.508 0 C-N-CA 122.269 1.979 . . . . 0.0 108.908 176.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -3.28 2.75 Favored 'General case' 0 N--CA 1.46 0.047 0 CA-C-O 121.681 0.753 . . . . 0.0 110.619 175.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' C' ' 37' ' ' PRO . 18.0 t70 -64.09 -11.55 30.94 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 126.092 1.757 . . . . 0.0 112.332 173.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 m -133.37 167.92 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.086 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.28 152.38 20.75 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 122.313 -0.242 . . . . 0.0 111.428 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -159.65 127.03 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.23 0.039 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -154.08 171.52 18.97 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.651 0.381 . . . . 0.0 110.446 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . 0.443 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 79.3 ttt180 -67.89 154.58 41.27 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 174.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -59.32 -21.09 59.21 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.934 0.397 . . . . 0.0 110.686 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . 0.443 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 20.6 tp10 -68.64 -48.5 63.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.296 0.638 . . . . 0.0 110.608 177.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -77.24 -25.86 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-O 120.856 0.36 . . . . 0.0 110.391 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.457 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 85.1 t80 -61.5 -28.73 69.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.541 0.737 . . . . 0.0 112.005 -178.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -72.78 -21.41 61.0 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -177.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -76.54 -19.49 57.88 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 89.7 mt -99.37 -46.97 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 123.13 0.572 . . . . 0.0 110.208 -172.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.457 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 71.7 mm-40 -70.29 2.4 3.84 Favored 'General case' 0 C--N 1.334 -0.091 0 O-C-N 121.971 -0.456 . . . . 0.0 112.048 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.43 -16.31 62.17 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 122.586 0.354 . . . . 0.0 111.05 174.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.84 19.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 CA-C-O 118.829 -0.984 . . . . 0.0 113.971 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -158.17 -176.81 6.12 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 119.101 1.451 . . . . 0.0 113.292 -169.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.4 p -144.05 9.4 1.48 Allowed 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 124.956 1.302 . . . . 0.0 109.907 172.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.92 121.96 4.17 Favored Pre-proline 0 N--CA 1.452 -0.358 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -45.77 -38.1 17.12 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 124.383 3.389 . . . . 0.0 114.312 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 36.0 t70 . . . . . 0 N--CA 1.454 -0.275 0 C-N-CA 122.101 0.16 . . . . 0.0 111.339 -176.383 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.822 0 C5'-C4'-C3' 110.389 -3.408 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 C5'-C4'-C3' 111.026 -2.983 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 38' ' ' ' A' . . . . . 0.548 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.839 0 O4'-C1'-N19 111.315 3.115 . 0.088 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 39' ' ' ' G' . . . . . 0.548 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 P-O3'-C3' 122.043 1.953 . 0.092 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 2 O4'-C1'-N19 115.437 7.237 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 41' ' ' ' A' . . . . . 0.424 ' C8 ' ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 C5'-C4'-C3' 110.955 -3.03 . 0.157 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 42' ' ' ' C' . . . . . 0.454 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.889 0 O4'-C1'-N19 111.489 3.289 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.938 0 O5'-C5'-C4' 112.618 1.727 . 0.14 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C5'-C4'-C3' 110.967 -3.022 . 0.477 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.659 HD23 HO2' ' B' ' 39' ' ' ' G' . 0.7 OUTLIER -132.63 156.43 46.94 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.733 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.463 HG23 ' H62' ' B' ' 43' ' ' ' A' . 4.3 mp -131.92 148.37 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.1 mt -142.67 165.22 27.99 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.682 0.793 . . . . 0.0 109.947 -176.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.52 95.92 2.95 Favored 'General case' 0 C--N 1.337 0.051 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 173.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -104.62 178.24 4.62 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.321 1.049 . . . . 0.0 109.038 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' HE2' ' OE1' ' C' ' 29' ' ' GLN . 18.5 ptpt -133.15 172.97 11.94 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 118.476 0.58 . . . . 0.0 110.368 171.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.469 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.7 m -58.66 132.93 23.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -171.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.51 -9.0 58.77 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.576 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -92.77 179.03 5.6 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.226 1.013 . . . . 0.0 111.23 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.8 m -142.88 168.03 20.66 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.133 0.492 . . . . 0.0 112.018 -174.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mt -145.34 167.32 9.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 125.699 1.6 . . . . 0.0 107.241 -177.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -140.89 154.78 46.29 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 121.441 -0.787 . . . . 0.0 112.663 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.9 mt -140.67 150.4 20.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 124.261 1.024 . . . . 0.0 108.914 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.3 -140.47 36.13 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -129.08 10.51 5.87 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.388 0.675 . . . . 0.0 109.572 177.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -143.92 11.95 1.62 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.553 0.741 . . . . 0.0 111.98 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -127.99 146.29 33.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 CA-C-N 119.19 0.905 . . . . 0.0 110.6 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 42.9 m -138.37 154.75 48.94 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.977 0.911 . . . . 0.0 108.588 177.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -135.19 147.76 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.2 m -141.22 147.15 37.85 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -105.17 94.54 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.57 -27.37 67.67 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.877 -172.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.469 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.56 -171.72 35.36 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.8 m -127.36 162.56 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 CA-C-O 120.957 0.408 . . . . 0.0 110.933 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.5 t -150.43 75.91 1.24 Allowed 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 177.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.17 -138.85 33.24 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.242 -1.543 . . . . 0.0 109.242 -173.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -68.56 -12.12 60.86 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 117.384 0.592 . . . . 0.0 111.787 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -83.65 152.57 24.7 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.6 t -137.34 129.5 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -93.22 126.55 38.39 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mt -134.23 155.14 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -169.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.14 156.78 21.95 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.9 mt -140.38 142.6 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -140.35 106.44 5.21 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.59 157.74 41.03 Favored Pre-proline 0 C--O 1.233 0.213 0 C-N-CA 123.613 0.765 . . . . 0.0 109.51 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -64.32 158.68 47.53 Favored 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 122.96 2.44 . . . . 0.0 110.638 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -69.31 -0.86 6.85 Favored 'General case' 0 CA--C 1.527 0.072 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 173.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.6 -10.32 55.18 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 125.065 1.346 . . . . 0.0 111.271 174.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 m -137.23 168.07 22.04 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 C-N-CA 123.318 0.647 . . . . 0.0 109.646 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.89 155.41 19.37 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.578 0.227 . . . . 0.0 110.882 -177.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -157.11 126.27 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -153.06 171.88 17.72 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 122.699 0.4 . . . . 0.0 110.158 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.9 mtp-105 -72.11 160.81 31.83 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -61.5 -20.81 63.61 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -73.84 -48.53 30.52 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 122.938 0.495 . . . . 0.0 111.0 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.17 -25.46 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.417 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 72.0 t80 -61.85 -37.58 85.02 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 122.032 -0.417 . . . . 0.0 111.068 -178.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -68.27 -21.19 64.82 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 122.635 0.374 . . . . 0.0 111.917 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -73.55 -20.74 60.56 Favored 'General case' 0 C--O 1.227 -0.107 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.2 mt -99.61 -33.87 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 124.163 0.985 . . . . 0.0 111.055 -174.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.431 HE22 ' CG2' ' A' ' 56' ' ' THR . 24.3 mm-40 -78.46 2.57 18.52 Favored 'General case' 0 CA--C 1.523 -0.089 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.64 -9.36 49.49 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 122.882 0.473 . . . . 0.0 110.896 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.24 42.94 0.17 Allowed Glycine 0 C--N 1.343 0.939 0 CA-C-O 119.515 -0.603 . . . . 0.0 112.387 176.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.5 mt -133.81 0.23 3.21 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -168.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.431 ' CG2' HE22 ' A' ' 52' ' ' GLN . 41.6 p -69.46 -6.2 28.88 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 118.938 0.79 . . . . 0.0 112.251 -177.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.76 73.88 10.39 Favored Pre-proline 0 CA--C 1.534 0.335 0 C-N-CA 123.487 0.715 . . . . 0.0 110.053 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -49.49 154.3 4.4 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 124.683 3.589 . . . . 0.0 113.83 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 124.345 1.058 . . . . 0.0 112.75 175.539 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 1 C5'-C4'-C3' 108.883 -4.411 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 1 C5'-C4'-C3' 109.355 -4.097 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C5'-C4'-C3' 112.214 -2.191 . 0.251 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.659 HO2' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.407 -3.803 1 C4'-C3'-C2' 96.987 -5.713 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . 0.43 " H4'" H5'' ' B' ' 41' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.95 1 O4'-C1'-N19 113.838 5.638 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ' A' . . . . . 0.453 ' C6 ' " H1'" ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.365 0 C5'-C4'-C3' 110.938 -3.041 . 0.207 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 C4'-C3'-C2' 99.6 -3.1 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.463 ' H62' HG23 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 P-O3'-C3' 124.023 3.603 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.866 0 C3'-C2'-C1' 104.813 3.681 . 0.087 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mt -135.06 153.22 52.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.94 139.26 49.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -132.65 163.54 28.72 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.837 1.255 . . . . 0.0 109.498 -174.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.12 96.7 3.33 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 172.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -109.4 139.04 44.86 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 125.196 1.398 . . . . 0.0 110.598 -171.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -84.61 158.97 20.71 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 110.436 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.421 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 23.9 m -61.22 138.62 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.089 0.471 . . . . 0.0 110.072 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.38 1.24 75.3 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.623 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -106.88 179.15 4.35 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.103 0.952 . . . . 0.0 110.195 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -140.53 168.09 20.63 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -171.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 64.6 mt -143.75 164.64 14.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 126.293 1.837 . . . . 0.0 106.797 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -136.85 154.16 50.58 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 121.378 -0.826 . . . . 0.0 112.357 -175.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.5 mt -139.8 149.88 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.88 -140.06 35.32 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -129.23 10.48 5.8 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 123.677 0.791 . . . . 0.0 109.719 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -145.12 12.83 1.41 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.564 0.746 . . . . 0.0 111.862 -175.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.59 145.83 34.94 Favored 'Isoleucine or valine' 0 C--N 1.342 0.28 0 CA-C-N 118.7 0.682 . . . . 0.0 110.439 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 58.6 m -140.62 154.45 46.45 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.601 0.76 . . . . 0.0 109.025 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.4 mm -134.07 141.58 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 52.3 m -140.3 121.4 14.73 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -76.56 101.78 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 22.9 mt -70.79 -27.26 63.78 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 122.119 -0.363 . . . . 0.0 111.837 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.421 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 155.89 -170.89 33.75 Favored Glycine 0 C--N 1.338 0.675 0 CA-C-N 118.274 0.488 . . . . 0.0 112.814 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.02 160.72 41.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 121.304 0.573 . . . . 0.0 111.084 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -150.4 89.38 1.57 Allowed 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.96 -102.84 1.6 Allowed Glycine 0 C--N 1.337 0.585 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -106.63 -16.62 14.46 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 174.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.413 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 2.8 mp0 -67.65 152.5 45.52 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -140.54 110.25 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 N-CA-C 105.147 -2.168 . . . . 0.0 105.147 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -84.86 132.62 34.37 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -135.47 154.12 34.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -170.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.72 152.16 19.22 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.3 mt -140.14 145.53 26.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -140.66 107.14 5.29 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.85 155.76 44.39 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 123.265 0.626 . . . . 0.0 110.477 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.95 157.22 53.94 Favored 'Trans proline' 0 N--CA 1.45 -1.088 0 C-N-CA 123.586 2.857 . . . . 0.0 111.236 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -71.81 -1.44 14.12 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 120.917 0.389 . . . . 0.0 110.615 176.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -71.18 -7.32 45.95 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.269 1.028 . . . . 0.0 110.524 172.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.19 169.6 17.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 124.048 0.939 . . . . 0.0 109.112 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.95 159.5 19.03 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 122.258 -0.276 . . . . 0.0 111.038 -176.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 p -156.41 122.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 123.468 0.707 . . . . 0.0 109.275 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -153.32 176.74 11.64 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 122.803 0.441 . . . . 0.0 110.073 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 161.23 29.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 175.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -60.35 -24.32 64.97 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 120.712 0.291 . . . . 0.0 110.862 -177.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -67.99 -48.01 66.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.159 0.584 . . . . 0.0 110.919 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm -77.45 -24.49 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 CA-C-O 120.668 0.27 . . . . 0.0 110.918 -173.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.477 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 81.8 t80 -61.68 -28.6 69.51 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.994 0.517 . . . . 0.0 111.696 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -73.6 -21.81 60.21 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 122.41 0.284 . . . . 0.0 111.519 -178.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -77.56 -18.5 56.87 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 122.808 0.443 . . . . 0.0 109.897 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 91.7 mt -99.42 -46.42 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.224 -172.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.477 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 80.6 mm-40 -71.19 3.25 3.7 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.74 -14.84 63.04 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 122.865 0.466 . . . . 0.0 111.691 176.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.19 16.19 0.06 OUTLIER Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.341 -0.699 . . . . 0.0 113.792 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -155.97 -167.38 2.45 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.333 1.066 . . . . 0.0 111.545 -171.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 14.8 m -136.92 -7.1 1.86 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.031 0.532 . . . . 0.0 110.605 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.97 102.34 2.83 Favored Pre-proline 0 N--CA 1.452 -0.358 0 C-N-CA 123.224 0.609 . . . . 0.0 109.429 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -47.26 -35.6 20.69 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 124.556 3.504 . . . . 0.0 113.884 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 36.9 t70 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.797 0.332 . . . . 0.0 110.758 -175.657 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 0 C5'-C4'-C3' 112.093 -2.271 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.96 0 C3'-C2'-C1' 103.53 2.256 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 38' ' ' ' A' . . . . . 0.488 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.485 2 O4'-C1'-N19 112.577 4.377 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 39' ' ' ' G' . . . . . 0.488 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.965 0 C3'-C2'-C1' 104.157 2.952 . 0.1 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 1 O4'-C1'-N19 113.67 5.47 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.877 0 C5'-C4'-C3' 109.988 -3.674 . 0.083 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 42' ' ' ' C' . . . . . 0.496 HO2' ' P ' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.159 1 C3'-C2'-C1' 105.104 4.005 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . 0.496 ' P ' HO2' ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.341 1 P-O3'-C3' 124.602 4.085 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C5'-C4'-C3' 110.806 -3.13 . 0.214 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 tpt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mt -140.26 155.52 46.84 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 173.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -134.62 135.26 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -133.25 162.2 32.43 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.374 1.07 . . . . 0.0 109.803 -170.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -135.66 127.08 28.57 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 169.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.93 178.74 6.55 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 125.304 1.442 . . . . 0.0 107.701 177.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -134.89 173.28 11.88 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 118.08 0.4 . . . . 0.0 109.985 170.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.473 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 6.3 m -58.73 124.84 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.215 -172.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.89 1.05 42.3 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.687 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -109.43 -179.26 3.78 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.133 0.966 . . . . 0.0 110.81 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.6 m -145.93 168.16 21.54 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -173.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.7 mt -140.47 164.21 22.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.136 1.775 . . . . 0.0 106.947 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -138.5 154.2 48.8 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 121.394 -0.816 . . . . 0.0 111.908 -174.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -140.63 147.67 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.25 -139.11 34.74 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.319 -1.113 . . . . 0.0 110.319 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -129.56 10.49 5.65 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 123.388 0.675 . . . . 0.0 109.789 176.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -141.77 10.7 2.02 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.549 0.74 . . . . 0.0 111.937 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -128.27 145.26 35.64 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 CA-C-N 118.734 0.697 . . . . 0.0 110.201 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.4 m -141.41 155.32 45.9 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.013 0.925 . . . . 0.0 109.181 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -134.63 145.3 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 m -139.95 146.85 39.69 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.43 HG13 ' HA ' ' A' ' 8' ' ' VAL . 0.9 OUTLIER -105.89 94.37 3.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.093 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.47 -26.08 66.2 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -173.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.473 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.4 -174.32 36.28 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-N 118.387 0.539 . . . . 0.0 112.714 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -138.64 163.77 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 117.37 0.585 . . . . 0.0 111.456 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -151.09 89.69 1.54 Allowed 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.831 0.852 . . . . 0.0 109.014 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.51 -102.48 1.39 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -106.44 -16.53 14.52 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 117.349 0.574 . . . . 0.0 109.841 175.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -68.77 147.09 52.29 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.4 t -138.9 114.33 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -84.16 126.62 33.29 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -132.62 154.97 40.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -171.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.17 154.87 20.76 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 177.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.7 mt -140.16 143.05 30.46 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -140.54 106.49 5.18 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -175.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.26 157.14 42.82 Favored Pre-proline 0 N--CA 1.45 -0.432 0 O-C-N 123.841 0.713 . . . . 0.0 110.16 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.15 159.44 46.83 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 123.561 2.841 . . . . 0.0 111.256 175.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -74.24 -1.02 18.79 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 122.183 -0.323 . . . . 0.0 110.865 175.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.39 -7.48 43.32 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.013 0.925 . . . . 0.0 110.595 172.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.13 168.41 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.23 1.012 . . . . 0.0 108.522 178.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.67 160.64 19.11 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.615 0.245 . . . . 0.0 110.988 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.64 129.84 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -154.52 173.97 15.56 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.073 0.549 . . . . 0.0 109.743 177.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.9 mtm105 -74.32 162.45 28.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 173.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -59.97 -28.18 67.45 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.317 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -65.37 -38.93 91.53 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.035 0.534 . . . . 0.0 111.432 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.6 mm -91.72 -27.43 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 122.365 0.266 . . . . 0.0 110.774 -172.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -56.25 -29.85 61.62 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.966 0.506 . . . . 0.0 111.002 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -62.15 -15.64 47.26 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.346 0.658 . . . . 0.0 112.56 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -80.26 -40.37 27.09 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.453 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 1.1 mp -66.89 -14.27 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 124.497 1.119 . . . . 0.0 109.143 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -109.51 3.2 21.02 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -141.81 -2.17 1.21 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -175.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -177.1 -12.69 0.02 OUTLIER Glycine 0 CA--C 1.526 0.743 0 CA-C-N 119.145 0.884 . . . . 0.0 113.119 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 66.44 -179.66 0.21 Allowed 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 125.645 1.578 . . . . 0.0 111.896 171.613 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.4 p -136.33 9.02 3.18 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.2 0.6 . . . . 0.0 111.163 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.63 120.86 3.46 Favored Pre-proline 0 N--CA 1.453 -0.293 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -47.85 -34.8 22.88 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 124.649 3.566 . . . . 0.0 114.201 177.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.7 t0 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -173.139 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ' U' . . . . . 0.456 " H4'" ' C5 ' ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C5'-C4'-C3' 109.875 -3.75 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.481 " H3'" ' C8 ' ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.669 1 C5'-C4'-C3' 109.013 -4.325 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ' A' . . . . . 0.481 ' C8 ' " H3'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 O4'-C1'-N19 112.135 3.935 . 0.208 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.481 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 C3'-C2'-C1' 103.812 2.569 . 0.062 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 1 O4'-C1'-N19 113.673 5.473 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.507 0 C5'-C4'-C3' 110.266 -3.489 . 0.122 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ' C' . . . . . 0.527 HO2' " C5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.235 0 C1'-C2'-O2' 104.562 -2.013 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . 0.527 " C5'" HO2' ' B' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 P-O3'-C3' 124.082 3.652 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 C3'-C2'-C1' 104.673 3.526 . 0.06 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mt -137.47 156.12 48.52 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.443 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 4.4 mp -133.98 148.32 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -146.2 165.84 27.98 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.05 0.94 . . . . 0.0 109.926 -177.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.48 96.86 3.67 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 171.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.34 162.18 13.91 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 124.877 1.271 . . . . 0.0 109.72 -176.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -121.62 168.2 12.04 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.72 1.145 . . . . 0.0 111.72 174.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.48 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.7 m -57.29 132.39 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.819 -172.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.34 1.15 60.93 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.578 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -108.69 179.78 4.09 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 117.634 0.717 . . . . 0.0 110.202 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 39.6 m -141.98 168.24 20.23 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -170.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.4 mt -144.67 166.6 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 126.001 1.72 . . . . 0.0 106.507 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -140.47 155.69 46.6 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 119.011 0.823 . . . . 0.0 112.168 -177.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 46.2 mt -142.22 153.79 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 124.084 0.953 . . . . 0.0 108.895 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.98 -141.33 33.31 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -128.57 10.44 6.13 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.644 0.778 . . . . 0.0 109.398 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -146.52 13.01 1.19 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.659 0.783 . . . . 0.0 111.763 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.05 147.17 32.71 Favored 'Isoleucine or valine' 0 C--N 1.34 0.196 0 CA-C-N 118.946 0.794 . . . . 0.0 110.696 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 57.6 m -139.94 154.3 47.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -134.01 146.79 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.1 m -139.71 146.95 40.23 Favored 'General case' 0 C--O 1.228 -0.039 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.404 HG13 ' HA ' ' C' ' 8' ' ' VAL . 0.8 OUTLIER -106.78 93.69 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.875 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.4 mt -66.38 -30.17 70.5 Favored 'General case' 0 C--N 1.341 0.22 0 O-C-N 122.067 -0.395 . . . . 0.0 111.913 -171.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.48 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 161.17 -174.89 37.82 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.798 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -137.68 161.96 32.79 Favored 'Isoleucine or valine' 0 C--N 1.338 0.106 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 45.8 t -153.7 113.99 3.96 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 172.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.13 -104.87 1.19 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -177.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -114.76 -13.29 12.05 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 117.096 0.448 . . . . 0.0 110.116 174.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -70.55 149.45 47.11 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -135.06 114.77 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -83.12 126.18 32.31 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -129.74 155.23 41.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 -173.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.62 153.03 19.77 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.8 mt -140.88 143.32 28.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -175.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -140.16 106.92 5.37 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.04 156.78 43.75 Favored Pre-proline 0 C--O 1.233 0.234 0 C-N-CA 123.533 0.733 . . . . 0.0 109.738 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.78 159.37 45.91 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 123.082 2.521 . . . . 0.0 111.038 176.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -73.01 -0.92 15.19 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-O 120.849 0.356 . . . . 0.0 110.663 175.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -72.52 -5.98 40.72 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.288 1.035 . . . . 0.0 110.671 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -138.48 168.45 19.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 123.671 0.788 . . . . 0.0 109.395 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.49 157.35 19.7 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.729 0.3 . . . . 0.0 111.362 -176.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -156.03 130.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.081 0 C-N-CA 122.742 0.417 . . . . 0.0 109.911 175.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -155.46 170.02 22.9 Favored 'General case' 0 C--N 1.338 0.067 0 C-N-CA 123.603 0.761 . . . . 0.0 109.185 176.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 ptt85 -82.44 164.17 21.15 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 175.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -55.36 -27.0 44.45 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -173.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.75 -38.95 80.47 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 122.117 -0.364 . . . . 0.0 111.856 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 22.4 mm -90.76 -28.87 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 110.67 -0.122 . . . . 0.0 110.67 -172.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.401 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 82.0 t80 -55.41 -28.57 54.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.964 0.506 . . . . 0.0 111.643 -178.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -62.61 -16.04 54.64 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.342 0.657 . . . . 0.0 112.424 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -82.36 -43.03 17.92 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . 0.458 ' N ' ' CD1' ' C' ' 51' ' ' ILE . 1.1 mp -65.01 -10.39 9.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 124.245 1.018 . . . . 0.0 109.501 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.401 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 64.2 mm-40 -119.58 2.63 11.2 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 178.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -145.42 3.58 1.01 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -177.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.99 -12.7 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 CA-C-N 118.689 0.677 . . . . 0.0 112.061 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 55.19 -175.26 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 126.849 2.059 . . . . 0.0 112.746 177.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 70.3 p -135.56 3.6 3.05 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.663 0.385 . . . . 0.0 111.596 -176.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.63 61.89 4.12 Favored Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 122.788 0.435 . . . . 0.0 110.887 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -47.11 -33.44 15.33 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 124.063 3.176 . . . . 0.0 114.045 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 N--CA 1.449 -0.483 0 CA-C-O 121.079 0.466 . . . . 0.0 110.8 -175.566 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 C3'-C2'-C1' 105.076 3.973 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 0 C5'-C4'-C3' 109.648 -3.902 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 38' ' ' ' A' . . . . . 0.425 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C5'-C4'-C3' 111.371 -2.753 . 0.057 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 39' ' ' ' G' . . . . . 0.425 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.938 1 C5'-C4'-C3' 108.776 -4.483 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 1 O4'-C1'-N19 113.494 5.294 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 41' ' ' ' A' . . . . . 0.402 ' C8 ' ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 C5'-C4'-C3' 110.274 -3.484 . 0.106 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 42' ' ' ' C' . . . . . 0.443 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.952 0 O4'-C1'-N19 111.261 3.061 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C4'-C3'-C2' 100.597 -2.103 . 0.15 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 C5'-C4'-C3' 110.888 -3.075 . 0.464 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 2' ' ' LEU . 5.3 mt -132.03 153.18 50.66 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.4 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.6 mp -135.98 137.59 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -130.18 159.09 37.89 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.256 1.422 . . . . 0.0 108.054 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -139.02 96.35 3.1 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 172.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.26 162.55 28.72 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.101 0.961 . . . . 0.0 109.583 -176.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -112.16 176.04 5.18 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -169.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.464 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.3 m -57.87 133.11 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 120.979 0.418 . . . . 0.0 111.135 -174.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.97 -16.72 59.11 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.675 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -73.48 171.27 13.47 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 117.886 0.843 . . . . 0.0 111.293 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -142.27 158.11 44.09 Favored 'General case' 0 CA--C 1.526 0.047 0 C-N-CA 122.585 0.354 . . . . 0.0 110.814 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mm -141.78 165.15 18.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 125.606 1.562 . . . . 0.0 106.846 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -139.27 155.3 47.85 Favored 'General case' 0 C--O 1.233 0.192 0 O-C-N 121.611 -0.68 . . . . 0.0 112.495 -174.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mt -139.93 149.92 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 123.998 0.919 . . . . 0.0 108.852 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.84 -142.07 35.22 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -127.87 10.63 6.53 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.767 0.827 . . . . 0.0 109.476 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -143.66 12.06 1.68 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.174 0.589 . . . . 0.0 111.958 -176.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -127.97 146.27 33.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 CA-C-N 119.174 0.897 . . . . 0.0 110.803 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.9 m -139.76 154.13 47.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.798 0.839 . . . . 0.0 108.865 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mm -134.72 144.99 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.8 m -140.16 147.89 40.81 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.409 HG13 ' HA ' ' A' ' 8' ' ' VAL . 2.3 tp -105.38 99.24 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.52 -27.8 65.48 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.221 -173.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.464 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 157.55 -173.52 34.96 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-N 117.969 0.349 . . . . 0.0 113.153 174.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.3 m -134.69 163.3 37.03 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 C-N-CA 122.662 0.385 . . . . 0.0 111.363 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -150.17 89.69 1.61 Allowed 'General case' 0 C--O 1.232 0.173 0 C-N-CA 124.23 1.012 . . . . 0.0 109.16 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.03 -90.28 0.79 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -114.63 -16.85 11.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 173.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -71.45 152.48 43.04 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -143.08 107.94 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -87.33 130.74 34.51 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -131.57 155.72 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.597 -169.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.49 154.72 20.15 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -139.56 145.48 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -176.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -140.26 107.12 5.39 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.32 157.91 38.84 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 123.77 0.828 . . . . 0.0 109.646 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.94 158.18 52.81 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 123.228 2.618 . . . . 0.0 110.844 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -71.82 -2.43 17.68 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.13 0.491 . . . . 0.0 110.549 176.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -72.4 -6.03 40.62 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.202 1.001 . . . . 0.0 111.143 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.6 167.96 20.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 C-N-CA 123.673 0.789 . . . . 0.0 109.176 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.43 157.25 20.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.362 0.125 . . . . 0.0 111.307 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.433 HG13 HD12 ' C' ' 2' ' ' LEU . 0.7 OUTLIER -156.05 125.51 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.283 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -157.51 170.32 22.7 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 124.061 0.945 . . . . 0.0 109.026 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -78.73 165.29 23.77 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 175.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -58.67 -25.82 63.18 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -172.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -65.01 -45.59 84.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.838 0.351 . . . . 0.0 111.075 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.0 mm -81.8 -24.09 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 120.797 0.332 . . . . 0.0 110.495 -173.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 84.0 t80 . . . . . 0 N--CA 1.454 -0.257 0 C-N-CA 123.165 0.586 . . . . 0.0 111.914 -179.377 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.44 ' C ' HD12 ' C' ' 3' ' ' ILE . 2.4 mt -140.08 149.12 42.7 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.44 HD12 ' C ' ' C' ' 2' ' ' LEU . 4.9 mp -138.29 138.2 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 176.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.76 166.16 26.95 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m -121.73 147.59 45.72 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 121.129 0.49 . . . . 0.0 109.968 -173.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.408 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 3.7 tpm_? -142.55 173.79 11.22 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 124.773 1.229 . . . . 0.0 107.829 -172.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -138.22 170.92 15.19 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 119.707 1.14 . . . . 0.0 110.238 169.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.462 ' HA ' HG13 ' C' ' 22' ' ' ILE . 7.9 m -57.87 132.8 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 120.991 0.424 . . . . 0.0 111.937 -172.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.8 -2.06 58.33 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.597 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -106.76 -178.63 3.7 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 117.991 0.896 . . . . 0.0 110.582 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 46.1 m -142.81 168.27 20.11 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -173.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -141.7 164.15 19.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 126.438 1.895 . . . . 0.0 106.724 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -138.94 154.95 48.37 Favored 'General case' 0 C--O 1.231 0.091 0 O-C-N 121.533 -0.729 . . . . 0.0 112.126 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.1 mt -140.51 145.02 26.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.32 -140.78 35.65 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -130.2 11.11 5.43 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.582 0.753 . . . . 0.0 110.142 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -138.28 10.67 2.77 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.789 0.836 . . . . 0.0 112.007 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -129.28 145.79 35.22 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 119.139 0.881 . . . . 0.0 110.69 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 52.5 m -140.78 155.43 46.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.677 0.791 . . . . 0.0 109.017 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -134.28 142.82 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -139.96 125.38 19.04 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.741 0.305 . . . . 0.0 110.329 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.462 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.5 tp -82.92 98.14 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 177.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.36 -27.57 64.44 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.708 -172.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.437 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.86 -173.26 34.53 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 112.011 -0.435 . . . . 0.0 112.011 177.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -129.63 161.13 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.075 0 CA-C-N 117.181 0.491 . . . . 0.0 111.434 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -150.46 89.96 1.61 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.73 -139.19 34.54 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 108.51 -1.836 . . . . 0.0 108.51 -173.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -72.81 -18.4 61.47 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 117.789 0.795 . . . . 0.0 110.173 176.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.61 149.44 47.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.8 t -137.33 117.62 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -177.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -87.08 125.72 34.31 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -134.17 154.53 37.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -173.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.48 159.07 19.99 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.4 mt -140.57 143.11 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -140.27 106.69 5.29 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.38 156.93 42.62 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 123.477 0.711 . . . . 0.0 109.692 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.57 158.28 50.75 Favored 'Trans proline' 0 N--CA 1.449 -1.13 0 C-N-CA 123.197 2.598 . . . . 0.0 111.261 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -71.52 -2.19 15.99 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.708 0.29 . . . . 0.0 110.813 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -70.36 -7.04 39.76 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.219 1.008 . . . . 0.0 111.027 173.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 m -137.83 168.2 20.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 123.836 0.854 . . . . 0.0 108.992 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.64 158.26 19.48 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.8 0.333 . . . . 0.0 111.26 -175.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.5 127.46 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.058 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -155.27 174.25 15.48 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.092 0.557 . . . . 0.0 110.349 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -73.68 157.47 36.51 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 175.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -57.76 -24.05 55.18 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.292 -0.255 . . . . 0.0 110.764 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.33 -48.77 63.98 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.705 0.402 . . . . 0.0 110.984 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 15.4 mm -75.76 -25.15 17.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.299 -174.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.9 t80 . . . . . 0 N--CA 1.451 -0.404 0 C-N-CA 122.812 0.445 . . . . 0.0 111.516 -178.298 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 tpt . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.414 ' C ' HD12 ' A' ' 3' ' ' ILE . 5.3 mt -138.46 154.28 48.84 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 175.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.414 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.3 mp -137.57 146.56 27.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 177.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -147.34 166.13 28.05 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.628 0.771 . . . . 0.0 110.277 -175.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -132.75 99.41 4.61 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.454 0.645 . . . . 0.0 109.285 171.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -102.88 159.39 15.54 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 125.372 1.469 . . . . 0.0 108.529 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -122.43 170.62 9.78 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.67 1.123 . . . . 0.0 110.79 171.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.463 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 5.9 m -57.24 135.64 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.431 -172.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.7 1.79 70.53 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.569 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -107.15 -179.98 4.09 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 117.907 0.853 . . . . 0.0 110.748 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -145.36 172.19 13.53 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.4 mt -150.94 158.9 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 126.973 2.109 . . . . 0.0 107.019 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -134.13 154.65 51.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.708 0.686 . . . . 0.0 111.239 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.3 mt -140.08 144.68 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.44 -139.63 30.38 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 109.916 -1.273 . . . . 0.0 109.916 -175.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -130.79 10.61 5.11 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.226 0.61 . . . . 0.0 109.428 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -138.21 10.63 2.79 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.354 0.661 . . . . 0.0 111.51 -178.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.67 145.08 36.1 Favored 'Isoleucine or valine' 0 C--N 1.343 0.297 0 CA-C-N 118.393 0.542 . . . . 0.0 110.257 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.9 m -140.23 156.38 46.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -137.11 145.11 30.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.0 m -142.98 146.14 33.64 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.433 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.3 tp -105.51 97.99 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.8 mt -66.88 -29.97 70.0 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -173.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.5 -173.35 36.26 Favored Glycine 0 CA--C 1.526 0.753 0 CA-C-N 118.158 0.435 . . . . 0.0 112.517 177.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -134.91 163.64 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 CA-C-O 121.236 0.541 . . . . 0.0 111.3 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.2 t -152.5 89.72 1.44 Allowed 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.72 -102.61 1.54 Allowed Glycine 0 C--N 1.337 0.607 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -106.73 -17.5 14.21 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -71.79 146.08 48.28 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.2 t -137.3 111.11 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 -176.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -84.27 123.86 30.6 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -127.01 155.16 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.121 -172.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.27 154.86 20.51 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.5 mt -141.09 144.45 26.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -175.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -140.56 109.1 5.89 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.87 156.8 40.99 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 123.456 0.702 . . . . 0.0 109.569 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.54 158.58 44.91 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 122.973 2.449 . . . . 0.0 111.13 176.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -70.25 -0.84 8.73 Favored 'General case' 0 CA--C 1.527 0.094 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 173.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -67.17 -11.64 57.87 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.416 1.486 . . . . 0.0 110.905 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 m -138.63 168.39 19.59 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 C-N-CA 123.632 0.773 . . . . 0.0 109.851 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.99 155.66 20.63 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.81 0.338 . . . . 0.0 110.842 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -156.11 129.03 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.086 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -156.84 174.79 14.97 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 123.915 0.886 . . . . 0.0 108.75 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -81.61 168.09 18.54 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 173.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -59.84 -23.19 63.19 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -70.07 -39.88 75.36 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 122.044 -0.41 . . . . 0.0 111.728 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -86.43 -26.21 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -174.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 122.722 0.409 . . . . 0.0 111.068 -178.519 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.55 -0.262 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.7 mt -139.52 154.29 47.65 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 118.269 0.486 . . . . 0.0 109.916 175.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -136.92 145.88 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -146.47 168.3 21.52 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.083 0.953 . . . . 0.0 109.804 -176.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 9.8 m -134.71 101.18 4.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.418 0.627 . . . . 0.0 109.395 171.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -104.05 162.73 12.9 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 124.931 1.293 . . . . 0.0 108.468 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -127.15 168.35 14.78 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 119.359 0.981 . . . . 0.0 110.873 173.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.452 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.0 m -56.86 131.47 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.319 0.58 . . . . 0.0 112.1 -170.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.42 0.79 59.38 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.443 -0.798 . . . . 0.0 112.657 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -110.5 -179.6 3.81 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.972 0.886 . . . . 0.0 109.947 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 41.8 m -144.0 168.26 20.41 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -170.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -141.89 164.74 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 126.144 1.778 . . . . 0.0 107.108 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -140.05 154.3 47.04 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.898 0.772 . . . . 0.0 112.053 -176.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 46.5 mt -141.77 147.51 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -141.42 35.31 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -130.13 10.43 5.38 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.536 0.735 . . . . 0.0 110.285 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -138.94 10.2 2.6 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.648 0.779 . . . . 0.0 111.949 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.27 145.4 35.43 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-N 119.057 0.844 . . . . 0.0 110.709 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -140.75 156.02 46.29 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -135.31 145.79 31.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.5 m -140.05 145.68 38.02 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.444 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.0 OUTLIER -105.75 94.48 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.43 -28.8 69.49 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -173.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.452 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.03 -173.29 36.67 Favored Glycine 0 CA--C 1.524 0.651 0 CA-C-N 118.26 0.482 . . . . 0.0 112.775 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -137.47 163.67 30.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 117.018 0.409 . . . . 0.0 111.185 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.2 t -151.8 89.73 1.49 Allowed 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.993 0.917 . . . . 0.0 109.049 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.78 -102.53 1.42 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -177.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -106.09 -17.77 14.23 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 117.066 0.433 . . . . 0.0 109.903 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -69.26 147.05 51.76 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -139.23 111.98 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 -177.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 ttt-85 -85.77 127.34 34.51 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -131.37 155.04 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -170.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.77 154.58 19.77 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -140.55 142.21 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -139.72 106.12 5.3 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.2 157.93 42.04 Favored Pre-proline 0 N--CA 1.453 -0.295 0 C-N-CA 123.867 0.867 . . . . 0.0 109.395 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.81 158.95 48.11 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 123.252 2.634 . . . . 0.0 110.829 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' C' ' 38' ' ' LYS . 13.6 mmmm -70.08 -0.69 8.11 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 121.116 0.484 . . . . 0.0 110.41 172.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.98 -11.6 57.29 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.052 1.341 . . . . 0.0 110.888 173.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 m -137.34 168.55 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.752 0.821 . . . . 0.0 109.838 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.41 155.45 20.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 122.25 -0.281 . . . . 0.0 110.959 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -157.78 128.08 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 174.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -154.43 165.99 34.66 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.89 0.476 . . . . 0.0 109.953 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -63.22 151.49 40.25 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 172.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -64.28 -12.21 39.27 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.616 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.24 -43.87 66.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.421 0.688 . . . . 0.0 110.466 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 16.5 mm -83.1 -25.21 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 O-C-N 122.255 -0.278 . . . . 0.0 110.496 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.3 t80 . . . . . 0 N--CA 1.45 -0.451 0 O-C-N 122.174 -0.329 . . . . 0.0 110.885 178.924 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.536 -0.172 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.401 ' C ' HD12 ' A' ' 3' ' ' ILE . 6.8 mt -100.75 152.08 20.91 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.852 0.358 . . . . 0.0 110.473 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.401 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.6 mp -137.09 133.44 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 172.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -161.08 165.55 29.48 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -125.69 147.07 49.47 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 121.066 0.46 . . . . 0.0 111.241 -171.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.81 173.6 11.33 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 125.839 1.656 . . . . 0.0 107.985 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -129.52 171.34 12.68 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.298 0.499 . . . . 0.0 109.883 168.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.466 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.2 m -56.52 133.6 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.768 -174.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.35 1.56 62.41 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.806 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -106.21 179.47 4.26 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.119 0.96 . . . . 0.0 111.542 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.7 m -144.57 168.35 20.35 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -171.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' C' ' 44' ' ' ARG . 32.9 mm -144.88 164.09 13.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 127.119 2.168 . . . . 0.0 107.292 -176.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -135.63 153.41 51.65 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.269 0.94 . . . . 0.0 112.086 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt -140.94 143.13 28.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 177.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.85 -138.75 44.17 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -176.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -130.65 10.32 5.14 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -141.79 11.06 2.03 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.267 0.627 . . . . 0.0 112.055 -175.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.25 141.07 47.26 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.139 0 CA-C-N 118.925 0.784 . . . . 0.0 109.703 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.7 m -136.58 154.85 50.57 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -134.2 146.39 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.1 m -142.58 145.74 33.88 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.412 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.2 tp -102.96 100.53 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.87 -29.77 68.14 Favored 'General case' 0 CA--C 1.528 0.132 0 O-C-N 122.189 -0.32 . . . . 0.0 111.489 -174.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.466 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.26 -174.89 35.49 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-N 118.077 0.399 . . . . 0.0 112.584 176.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -138.71 163.71 27.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 O-C-N 122.411 -0.464 . . . . 0.0 111.044 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.7 t -154.26 115.22 4.03 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 172.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.08 -102.51 0.66 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -115.37 -13.94 11.64 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.954 0.377 . . . . 0.0 110.613 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -71.27 148.75 46.87 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.6 t -137.63 110.79 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -86.65 126.89 34.84 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -128.76 155.22 40.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -170.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.1 154.41 19.84 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 109.764 -1.335 . . . . 0.0 109.764 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.6 mt -140.59 143.06 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -139.52 105.82 5.27 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -176.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.4 157.25 42.22 Favored Pre-proline 0 N--CA 1.452 -0.353 0 C-N-CA 123.496 0.718 . . . . 0.0 109.644 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -64.71 158.72 48.93 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 123.211 2.607 . . . . 0.0 110.884 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 10.5 mmmm -70.76 -0.43 8.92 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 121.178 0.513 . . . . 0.0 110.055 172.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.68 -11.3 53.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.844 1.258 . . . . 0.0 110.698 173.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -138.56 168.63 19.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 123.895 0.878 . . . . 0.0 109.37 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.44 158.38 18.01 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -158.15 129.22 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -155.68 171.43 19.99 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 122.906 0.482 . . . . 0.0 110.015 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -70.05 158.48 35.62 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -61.46 -19.43 61.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.852 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -69.96 -47.86 60.63 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.101 0.56 . . . . 0.0 110.43 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -78.71 -25.65 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 120.697 0.284 . . . . 0.0 110.868 -173.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 . . . . . 0 N--CA 1.449 -0.477 0 C-N-CA 122.736 0.414 . . . . 0.0 111.497 -178.953 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.0 tpt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mt -138.7 150.8 46.57 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.827 0.451 . . . . 0.0 109.836 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -138.75 134.42 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.51 165.39 26.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -123.17 147.32 46.97 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.218 0.533 . . . . 0.0 111.512 -171.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.25 173.93 11.02 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 125.914 1.686 . . . . 0.0 108.022 -178.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -132.07 170.99 14.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.34 0.518 . . . . 0.0 110.369 168.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.467 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 7.4 m -56.34 128.38 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.771 -173.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.81 4.11 55.81 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.423 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -110.25 179.84 3.98 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.196 0.998 . . . . 0.0 111.113 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -145.63 168.0 21.73 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -172.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -142.29 165.42 17.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 127.064 2.146 . . . . 0.0 106.642 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -139.15 155.56 47.77 Favored 'General case' 0 CA--C 1.524 -0.052 0 O-C-N 121.385 -0.822 . . . . 0.0 112.154 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.0 mt -139.85 152.53 22.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.59 -139.24 35.76 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -130.39 10.43 5.26 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.707 0.803 . . . . 0.0 109.003 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -144.78 12.21 1.45 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.746 0.818 . . . . 0.0 111.871 -175.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -127.43 146.09 33.79 Favored 'Isoleucine or valine' 0 C--N 1.34 0.183 0 CA-C-N 119.018 0.826 . . . . 0.0 110.733 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -138.54 153.47 48.72 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.69 145.08 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -140.68 146.44 37.85 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.415 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.0 OUTLIER -105.04 94.82 3.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -66.66 -28.68 68.66 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.92 -173.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.42 -173.82 37.05 Favored Glycine 0 CA--C 1.525 0.66 0 CA-C-N 118.035 0.38 . . . . 0.0 113.015 176.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -135.86 163.56 34.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 C-N-CA 122.535 0.334 . . . . 0.0 111.023 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 46.9 t -151.01 89.96 1.57 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.79 -95.39 1.01 Allowed Glycine 0 C--N 1.337 0.59 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -114.35 -15.08 12.16 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 174.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -69.65 149.59 47.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 81.0 t -138.41 111.53 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -87.48 127.99 35.23 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.19 155.39 41.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -169.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.56 153.92 20.16 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.4 mt -140.84 143.35 28.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -175.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -140.24 106.56 5.27 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.18 157.63 42.46 Favored Pre-proline 0 N--CA 1.451 -0.393 0 C-N-CA 123.699 0.8 . . . . 0.0 109.349 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.65 158.04 52.36 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 122.984 2.456 . . . . 0.0 110.872 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -71.71 -3.65 23.05 Favored 'General case' 0 CA--C 1.526 0.038 0 O-C-N 122.115 -0.365 . . . . 0.0 110.506 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -69.57 -7.51 39.12 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.554 1.141 . . . . 0.0 110.989 174.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -136.4 168.67 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.153 0.981 . . . . 0.0 108.528 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.82 157.93 21.66 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.67 0.271 . . . . 0.0 110.959 -175.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -158.26 131.41 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -156.79 172.03 19.34 Favored 'General case' 0 C--N 1.339 0.118 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.458 ' HA ' HD13 ' A' ' 12' ' ' ILE . 73.0 mtm-85 -68.72 156.25 38.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -65.97 -8.42 22.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 110.44 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -79.24 -48.53 14.02 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.449 0.7 . . . . 0.0 109.73 174.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.42 -27.43 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.223 0.609 . . . . 0.0 109.804 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.0 t80 . . . . . 0 N--CA 1.451 -0.387 0 C-N-CA 122.271 0.228 . . . . 0.0 111.399 -178.757 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 tpt . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.406 HD12 HG13 ' C' ' 42' ' ' VAL . 5.4 mt -140.85 156.39 46.14 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 174.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -136.88 145.23 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -144.6 166.8 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.954 0.901 . . . . 0.0 109.769 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.19 97.86 3.96 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 172.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -104.56 162.2 13.46 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.272 1.429 . . . . 0.0 109.188 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -120.25 169.69 10.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.859 1.209 . . . . 0.0 111.419 172.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.452 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 8.8 m -58.9 134.61 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.433 -173.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.25 -3.86 60.15 Favored Glycine 0 CA--C 1.527 0.813 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.46 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -104.86 -178.98 3.81 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.152 0.976 . . . . 0.0 110.887 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.3 m -143.18 173.42 11.6 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -171.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.459 ' HA ' ' HA ' ' C' ' 44' ' ' ARG . 37.4 mt -153.38 165.01 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 126.911 2.085 . . . . 0.0 106.932 -172.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -141.3 155.25 45.99 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 119.276 0.944 . . . . 0.0 112.415 -175.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.4 mt -139.58 151.6 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.88 -140.02 35.42 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -129.96 10.17 5.43 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -142.47 12.28 1.93 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.784 0.833 . . . . 0.0 111.694 -176.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.77 146.15 34.56 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-N 118.769 0.713 . . . . 0.0 109.987 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -139.93 155.02 47.36 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.4 mm -135.66 148.61 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -141.28 146.84 37.29 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.406 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.2 tp -105.89 94.78 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.5 mt -66.44 -30.42 70.77 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -173.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.452 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 160.05 -172.86 36.63 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.559 -0.353 . . . . 0.0 113.043 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -132.19 163.12 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.863 0.363 . . . . 0.0 111.406 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.4 t -151.99 90.34 1.52 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.966 0.907 . . . . 0.0 108.997 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.41 -100.61 1.55 Allowed Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -113.25 -17.32 12.36 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -68.76 149.75 48.66 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.1 t -135.83 117.68 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -82.7 121.18 26.53 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.4 155.16 34.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -174.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.63 154.32 20.36 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.9 mt -140.99 142.99 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -140.32 107.24 5.41 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.12 156.94 40.27 Favored Pre-proline 0 N--CA 1.453 -0.313 0 C-N-CA 123.391 0.676 . . . . 0.0 110.093 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.49 158.78 51.08 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 123.577 2.852 . . . . 0.0 111.431 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 9.0 mmmm -72.87 -0.86 14.68 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.831 0.348 . . . . 0.0 110.622 175.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.83 -7.44 45.35 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.172 0.989 . . . . 0.0 110.826 172.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -138.5 168.46 19.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 123.786 0.834 . . . . 0.0 108.869 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.11 159.83 17.0 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -175.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.4 p -159.73 129.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 123.533 0.733 . . . . 0.0 109.75 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -153.72 172.79 16.74 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 122.979 0.512 . . . . 0.0 110.036 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -71.3 159.35 34.75 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -60.0 -23.62 63.81 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.328 0.513 . . . . 0.0 110.394 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.42 -50.01 36.14 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.012 0.525 . . . . 0.0 111.125 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.14 -27.29 29.1 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.178 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 78.2 t80 . . . . . 0 N--CA 1.451 -0.418 0 C-N-CA 122.799 0.44 . . . . 0.0 111.892 -178.315 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.474 0.771 0 CA-C-O 119.537 -0.268 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.407 ' C ' HD12 ' C' ' 3' ' ' ILE . 5.4 mt -140.35 156.27 46.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 172.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.407 HD12 ' C ' ' C' ' 2' ' ' LEU . 3.8 mp -134.88 136.64 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 176.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -131.83 163.14 28.91 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.586 1.154 . . . . 0.0 109.701 -172.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -134.29 122.11 22.22 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 169.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -136.23 152.18 50.48 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.193 1.397 . . . . 0.0 108.068 -174.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -116.15 171.64 7.68 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 119.975 1.261 . . . . 0.0 111.145 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.442 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 11.1 m -60.31 129.19 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.349 -171.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.43 1.54 55.58 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.543 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -111.18 -178.58 3.5 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.076 0.938 . . . . 0.0 110.708 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 42.4 m -141.89 169.04 18.34 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -173.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.7 mm -141.52 165.95 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.893 2.077 . . . . 0.0 106.901 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -139.01 154.98 48.31 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 119.064 0.847 . . . . 0.0 112.685 -175.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -141.58 148.03 21.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 C-N-CA 124.435 1.094 . . . . 0.0 108.64 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.54 -140.16 29.8 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -129.22 10.57 5.82 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 123.811 0.844 . . . . 0.0 109.632 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -142.73 11.86 1.86 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.358 0.663 . . . . 0.0 111.621 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.49 146.24 34.49 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 118.742 0.701 . . . . 0.0 110.543 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 56.3 m -140.72 155.91 46.33 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.058 0.943 . . . . 0.0 108.831 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -134.52 145.54 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 9.5 m -138.96 151.15 46.64 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.418 HG13 ' HA ' ' C' ' 8' ' ' VAL . 0.9 OUTLIER -115.12 90.3 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.29 -25.48 67.65 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -172.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.442 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 159.8 -172.97 36.45 Favored Glycine 0 C--N 1.34 0.764 0 CA-C-N 118.066 0.394 . . . . 0.0 112.88 176.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.5 m -139.1 164.37 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 C-N-CA 122.97 0.508 . . . . 0.0 110.844 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -152.4 89.47 1.43 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.445 0.698 . . . . 0.0 109.258 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.06 -94.15 1.1 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -113.34 -16.36 12.5 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 173.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -67.13 148.36 51.95 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 67.5 t -141.36 109.9 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -83.57 121.42 27.2 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt -126.05 154.69 35.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -171.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.23 153.51 19.89 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.0 mt -140.75 139.59 34.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.25 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -138.15 105.62 5.55 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -174.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.55 156.74 45.38 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.671 0.789 . . . . 0.0 109.699 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.76 158.87 40.06 Favored 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 122.849 2.366 . . . . 0.0 110.9 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -69.26 -0.73 6.57 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.96 0.41 . . . . 0.0 110.082 172.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.02 -11.81 58.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.92 1.288 . . . . 0.0 110.788 173.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -137.74 167.06 23.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 C-N-CA 124.095 0.958 . . . . 0.0 109.28 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.77 160.13 15.71 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 122.298 -0.251 . . . . 0.0 110.842 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.406 HG13 HD12 ' A' ' 2' ' ' LEU . 0.9 OUTLIER -158.08 131.63 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 174.819 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -155.58 173.59 16.48 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 29.8 ptt-85 -82.51 166.5 19.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 173.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -64.0 -9.61 16.89 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.956 0.503 . . . . 0.0 112.318 -176.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -78.64 -45.14 22.16 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.399 -0.813 . . . . 0.0 110.637 173.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -81.63 -29.02 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 O-C-N 122.332 -0.23 . . . . 0.0 110.939 -172.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 83.6 t80 . . . . . 0 N--CA 1.452 -0.369 0 O-C-N 122.251 -0.281 . . . . 0.0 110.903 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.427 ' C ' HD12 ' A' ' 3' ' ' ILE . 4.9 mt -136.05 152.76 51.23 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.427 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.4 mp -135.43 147.75 28.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 177.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -145.8 165.78 27.84 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.803 0.841 . . . . 0.0 109.123 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -137.55 86.1 2.16 Favored 'General case' 0 C--O 1.23 0.054 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 175.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -99.85 162.94 12.68 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.077 1.351 . . . . 0.0 109.058 -173.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -121.26 171.79 8.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 120.146 1.339 . . . . 0.0 112.096 175.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.489 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 9.1 m -59.5 134.51 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.894 -172.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.39 -1.11 62.06 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.034 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -105.4 -178.9 3.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 117.596 0.698 . . . . 0.0 110.227 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.9 m -144.28 168.3 20.39 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -173.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.0 mt -144.81 166.0 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 126.11 1.764 . . . . 0.0 106.982 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -141.16 157.46 45.24 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-N 119.069 0.85 . . . . 0.0 112.44 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.1 mt -141.89 150.88 18.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 124.451 1.1 . . . . 0.0 108.875 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.5 -141.97 30.28 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -128.66 10.85 6.14 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.603 0.761 . . . . 0.0 109.728 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -141.69 12.6 2.09 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.77 0.828 . . . . 0.0 111.87 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.55 146.77 33.45 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 CA-C-N 119.127 0.876 . . . . 0.0 110.858 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.6 m -140.4 155.48 46.72 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.208 1.003 . . . . 0.0 108.867 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.1 mm -135.43 148.18 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 m -141.71 154.5 45.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.42 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.1 tp -119.68 90.25 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.8 mt -66.05 -27.62 68.23 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.977 -0.452 . . . . 0.0 111.858 -172.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.489 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 160.65 -174.63 37.35 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 121.116 -0.564 . . . . 0.0 113.446 178.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.13 163.11 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.974 0.416 . . . . 0.0 111.345 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.7 t -154.46 111.35 3.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.738 0.815 . . . . 0.0 108.824 173.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.1 -100.46 0.71 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -117.7 -16.83 10.01 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.021 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -71.43 148.32 47.01 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.8 t -134.15 116.61 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -85.13 121.94 28.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -126.45 155.35 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 O-C-N 123.977 0.798 . . . . 0.0 109.274 -172.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.86 153.05 18.24 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt -140.64 139.72 34.58 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -177.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -140.38 106.47 5.22 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.51 157.43 44.88 Favored Pre-proline 0 N--CA 1.451 -0.407 0 C-N-CA 123.485 0.714 . . . . 0.0 109.539 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.65 159.13 46.58 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 123.194 2.596 . . . . 0.0 110.827 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -69.85 -0.56 7.45 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.201 0.524 . . . . 0.0 110.129 173.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.69 -10.4 56.05 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.086 1.354 . . . . 0.0 111.055 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -139.16 168.65 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.55 0.74 . . . . 0.0 109.704 -178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.22 155.86 19.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.996 0.427 . . . . 0.0 111.326 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.98 127.14 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -153.62 171.73 18.34 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.8 mtm105 -71.96 161.22 31.25 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 173.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -62.27 -21.4 65.18 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -73.47 -34.08 65.17 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.995 0.918 . . . . 0.0 111.838 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.18 -28.03 5.05 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -178.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.5 t80 . . . . . 0 N--CA 1.453 -0.298 0 C-N-CA 122.637 0.375 . . . . 0.0 111.966 -177.615 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.6 tpt . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 119.044 -0.503 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.489 ' C ' HD13 ' C' ' 3' ' ' ILE . 4.2 mt -140.99 137.34 32.94 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.516 0.598 . . . . 0.0 110.611 176.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.531 HD13 ' N ' ' C' ' 3' ' ' ILE . 0.7 OUTLIER -109.62 137.01 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 178.291 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -135.48 158.86 43.31 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.188 0.595 . . . . 0.0 110.788 -172.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m -134.31 134.05 41.41 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 168.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.422 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 3.8 tpm_? -142.6 161.84 37.02 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -125.08 166.66 15.99 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 119.194 0.906 . . . . 0.0 110.766 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.459 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.9 m -56.41 127.55 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.788 -170.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.23 -5.2 45.12 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 115.491 -0.777 . . . . 0.0 113.071 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -108.96 -178.9 3.7 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.182 0.991 . . . . 0.0 110.818 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 59.0 m -141.96 168.9 18.64 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -172.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 34.4 mm -139.14 164.96 24.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 126.987 2.115 . . . . 0.0 106.512 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -137.94 155.06 49.29 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.156 -0.965 . . . . 0.0 112.644 -176.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mt -140.91 148.01 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.093 0.957 . . . . 0.0 108.564 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.3 -140.82 35.5 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -129.08 10.33 5.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.698 0.799 . . . . 0.0 109.512 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -143.57 12.06 1.7 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.424 0.69 . . . . 0.0 111.594 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.84 145.36 35.82 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 118.902 0.774 . . . . 0.0 110.268 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 57.5 m -141.22 154.66 45.92 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.659 0.783 . . . . 0.0 108.949 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -134.68 143.74 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 40.0 m -139.14 146.3 40.46 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.417 HG13 ' HA ' ' C' ' 8' ' ' VAL . 0.9 OUTLIER -105.71 93.68 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.485 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -65.44 -27.51 68.57 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -173.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.459 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.08 -173.33 36.71 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-N 118.227 0.467 . . . . 0.0 112.677 177.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 m -137.74 163.01 31.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 CA-C-N 117.053 0.426 . . . . 0.0 111.095 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 64.9 m -150.53 89.76 1.59 Allowed 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 124.06 0.944 . . . . 0.0 108.773 176.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.03 -94.02 0.88 Allowed Glycine 0 C--N 1.339 0.698 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -113.88 -16.74 12.17 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 117.071 0.436 . . . . 0.0 109.841 173.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -68.96 150.4 47.75 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 73.4 t -140.49 112.7 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 105.976 -1.861 . . . . 0.0 105.976 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -83.58 127.61 33.87 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -133.74 154.74 39.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -171.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.16 154.05 20.12 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.0 mt -140.69 141.53 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -176.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -139.92 105.28 5.06 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.79 156.79 44.55 Favored Pre-proline 0 N--CA 1.452 -0.362 0 C-N-CA 123.385 0.674 . . . . 0.0 109.977 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.12 158.55 47.47 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 123.26 2.64 . . . . 0.0 110.94 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -72.39 -0.84 13.5 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.176 0.512 . . . . 0.0 110.582 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.76 -6.6 45.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.572 1.149 . . . . 0.0 110.984 174.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 20.7 m -137.46 168.6 20.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 123.284 0.634 . . . . 0.0 109.74 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.6 158.07 17.54 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.709 0.29 . . . . 0.0 111.567 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.401 HG13 HD12 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -157.93 127.75 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 173.579 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -154.36 174.52 14.73 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 123.54 0.736 . . . . 0.0 109.429 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -84.82 166.68 16.7 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 175.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -58.11 -22.71 52.04 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -172.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -73.5 -46.29 48.8 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 121.954 -0.467 . . . . 0.0 111.519 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.23 -25.53 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -176.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 78.6 t80 . . . . . 0 N--CA 1.45 -0.456 0 O-C-N 122.284 -0.26 . . . . 0.0 111.508 -178.176 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 tpt . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -139.53 152.12 46.67 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -137.3 138.44 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.07 165.66 24.47 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.614 0.766 . . . . 0.0 110.105 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.446 HG22 ' HG2' ' C' ' 29' ' ' GLN . 2.5 m -116.77 149.07 40.54 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -175.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.66 154.38 44.29 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 123.957 0.903 . . . . 0.0 109.854 -174.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -110.17 159.22 17.55 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.349 0.595 . . . . 0.0 110.486 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.423 ' HA ' HG13 ' A' ' 22' ' ' ILE . 18.4 m -59.32 136.3 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.721 -176.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.62 0.37 66.98 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.399 -0.667 . . . . 0.0 112.608 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -107.62 -178.51 3.65 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.197 0.998 . . . . 0.0 110.2 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.9 m -141.0 168.1 20.6 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -172.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.5 mt -142.34 162.51 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 126.11 1.764 . . . . 0.0 106.33 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -138.22 153.87 49.11 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 121.737 -0.602 . . . . 0.0 111.746 -173.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.0 mt -141.57 146.84 22.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.78 -141.08 29.09 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -129.48 10.92 5.74 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.382 0.673 . . . . 0.0 110.189 176.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -139.36 11.25 2.55 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.61 0.764 . . . . 0.0 111.925 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.27 144.57 37.75 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 CA-C-N 119.105 0.866 . . . . 0.0 110.939 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.5 m -141.33 156.8 45.8 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mm -134.05 144.7 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.541 1.137 . . . . 0.0 107.983 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -142.11 120.82 12.62 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.423 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.9 tp -80.23 103.65 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.75 -29.91 65.02 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.836 -0.166 . . . . 0.0 111.329 -175.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.415 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.28 -171.92 35.24 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 117.775 0.261 . . . . 0.0 112.48 177.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 m -132.95 163.58 37.54 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 CA-C-O 121.036 0.446 . . . . 0.0 111.367 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 t -151.02 89.41 1.53 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.008 0.923 . . . . 0.0 108.605 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.5 -102.85 1.33 Allowed Glycine 0 C--N 1.339 0.725 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 -177.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -105.69 -20.15 13.55 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 117.38 0.59 . . . . 0.0 109.561 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -66.98 147.58 53.04 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.9 t -136.66 115.04 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.1 ttt-85 -89.49 126.95 35.78 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -137.74 155.1 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -170.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.76 157.18 18.15 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 176.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.4 mt -140.23 143.18 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -176.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -140.15 107.15 5.43 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.42 156.97 42.46 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 123.817 0.847 . . . . 0.0 109.332 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.78 158.23 51.86 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.271 2.648 . . . . 0.0 111.117 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -71.38 -4.08 24.3 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.244 0.217 . . . . 0.0 110.471 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -69.66 -6.75 33.56 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.33 1.052 . . . . 0.0 111.17 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m -136.88 168.74 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.92 157.09 21.08 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.676 0.275 . . . . 0.0 111.069 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -155.56 129.43 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 176.053 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -155.71 173.07 17.27 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 123.389 0.676 . . . . 0.0 109.893 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -74.83 159.87 31.38 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 173.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -57.75 -25.21 60.12 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 122.237 -0.289 . . . . 0.0 111.206 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -68.49 -39.07 81.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.368 0.667 . . . . 0.0 111.584 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -86.21 -27.26 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.1 t80 . . . . . 0 N--CA 1.453 -0.28 0 C-N-CA 122.725 0.41 . . . . 0.0 111.716 -178.914 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpt . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.4 ' C ' HD12 ' C' ' 3' ' ' ILE . 4.8 mt -136.25 155.24 50.4 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.4 HD12 ' C ' ' C' ' 2' ' ' LEU . 4.5 mp -135.83 146.97 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.1 mt -146.71 165.66 28.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.123 0.969 . . . . 0.0 110.068 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -139.13 100.07 3.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 173.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.44 ' HD3' HD11 ' C' ' 12' ' ' ILE . 0.0 OUTLIER -127.51 164.24 22.37 Favored 'General case' 0 C--O 1.227 -0.107 0 C-N-CA 122.43 0.292 . . . . 0.0 110.444 176.377 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -115.35 175.54 5.47 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 123.007 0.523 . . . . 0.0 111.492 -169.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.74 142.74 11.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.55 -9.06 75.09 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.504 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' GLU . . . . . 0.468 ' HG3' ' H ' ' C' ' 11' ' ' SER . 8.3 tp10 -85.7 179.72 7.02 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 117.705 0.752 . . . . 0.0 110.249 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.468 ' H ' ' HG3' ' C' ' 10' ' ' GLU . 67.9 m -148.05 164.29 34.29 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.272 0.629 . . . . 0.0 110.983 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.44 HD11 ' HD3' ' C' ' 6' ' ' ARG . 51.8 mt -143.29 164.13 15.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -138.38 155.6 48.37 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 121.36 -0.837 . . . . 0.0 112.651 -175.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 49.2 mt -141.55 148.26 21.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 C-N-CA 124.212 1.005 . . . . 0.0 108.668 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.36 -141.04 38.81 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -129.75 10.44 5.56 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.652 0.781 . . . . 0.0 109.482 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -143.12 11.28 1.76 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.453 0.701 . . . . 0.0 111.645 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.07 144.69 37.4 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 CA-C-N 118.984 0.811 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 49.1 m -140.24 154.58 46.91 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -130.43 144.38 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 41.0 m -142.37 146.87 35.4 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -105.87 103.32 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.07 -24.68 62.37 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.049 -0.661 . . . . 0.0 109.96 -177.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.48 -169.57 32.24 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 112.239 -0.344 . . . . 0.0 112.239 173.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 15.5 m -131.84 164.9 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 CA-C-O 121.16 0.505 . . . . 0.0 111.246 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.2 m -150.24 85.26 1.39 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -129.72 21.09 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -175.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -77.99 -13.29 59.93 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.05 0.425 . . . . 0.0 110.335 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.446 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.2 OUTLIER -81.5 148.99 28.93 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.805 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 85.8 t -139.58 118.88 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 -175.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -95.33 126.57 40.73 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.3 155.35 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.249 -169.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.47 155.14 20.7 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -140.19 143.36 29.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -175.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -139.15 105.28 5.22 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -174.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.75 157.61 43.86 Favored Pre-proline 0 N--CA 1.45 -0.435 0 C-N-CA 123.908 0.883 . . . . 0.0 109.594 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -62.98 158.09 45.24 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 123.194 2.596 . . . . 0.0 110.752 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -68.39 -0.68 5.18 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-O 121.223 0.535 . . . . 0.0 110.222 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.21 -11.78 59.86 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.219 1.408 . . . . 0.0 111.144 173.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 m -139.04 168.36 19.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 123.477 0.711 . . . . 0.0 110.032 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.33 158.64 16.72 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.921 -177.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -158.25 126.9 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -158.73 170.11 22.88 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 120.847 0.356 . . . . 0.0 111.429 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.436 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 24.8 ttp-105 -68.68 153.11 44.38 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 169.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -13.68 32.32 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.588 0.631 . . . . 0.0 111.9 -177.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 46' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 45.8 tt0 -70.94 -36.92 72.82 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.911 0.484 . . . . 0.0 110.566 177.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 mm -91.31 -25.23 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 78.3 t80 . . . . . 0 N--CA 1.452 -0.352 0 C-N-CA 123.05 0.54 . . . . 0.0 111.549 -179.702 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 tpt . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mt -136.84 156.12 48.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -134.42 145.26 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -143.54 165.84 26.46 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.998 0.919 . . . . 0.0 109.441 -177.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.33 96.41 3.72 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 173.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -98.64 163.09 12.79 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.429 1.491 . . . . 0.0 108.508 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -130.24 169.43 15.4 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 119.61 1.096 . . . . 0.0 110.619 171.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.452 ' HA ' HG13 ' A' ' 22' ' ' ILE . 7.7 m -58.45 133.06 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -169.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.68 -0.51 61.17 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.678 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -106.22 -179.12 3.85 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.244 1.022 . . . . 0.0 110.96 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.1 m -144.23 168.41 20.13 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -173.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.4 mt -141.21 165.71 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 125.853 1.661 . . . . 0.0 106.632 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -138.39 153.65 48.91 Favored 'General case' 0 C--O 1.228 -0.062 0 CA-C-N 118.695 0.68 . . . . 0.0 111.712 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.7 mt -140.5 147.32 23.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.16 -141.23 34.17 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -130.02 10.96 5.5 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.147 0.579 . . . . 0.0 110.206 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -139.66 12.18 2.5 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.785 0.834 . . . . 0.0 111.826 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.77 146.92 33.37 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-N 119.059 0.845 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.2 m -141.11 155.74 46.08 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.737 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.1 mm -135.34 146.33 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.5 m -142.65 146.59 34.62 Favored 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.452 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.2 tp -105.52 96.33 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.81 -27.04 66.39 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.595 -172.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.428 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 156.04 -170.82 33.82 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 112.008 -0.437 . . . . 0.0 112.008 176.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -133.33 161.21 41.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 CA-C-N 117.446 0.623 . . . . 0.0 112.069 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.2 m -150.04 89.47 1.6 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.165 1.386 . . . . 0.0 107.834 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.72 -137.3 28.58 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 -175.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -72.3 -18.29 61.8 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.856 0.828 . . . . 0.0 109.96 175.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.47 149.55 45.74 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -140.58 116.22 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -86.26 123.38 31.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -130.18 155.13 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -172.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.17 159.33 23.04 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.9 mt -139.97 142.36 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.404 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -139.97 105.83 5.17 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -176.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.03 157.26 43.44 Favored Pre-proline 0 N--CA 1.452 -0.375 0 C-N-CA 123.795 0.838 . . . . 0.0 109.46 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.64 158.78 48.36 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.181 2.587 . . . . 0.0 110.793 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -69.47 -0.8 7.07 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 121.474 0.654 . . . . 0.0 110.196 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -66.67 -10.75 49.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.945 1.298 . . . . 0.0 111.015 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -137.8 168.56 20.37 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 C-N-CA 123.48 0.712 . . . . 0.0 109.766 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.93 153.92 22.88 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.287 0.235 . . . . 0.0 111.012 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -156.11 124.58 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -152.51 168.89 24.06 Favored 'General case' 0 N--CA 1.458 -0.032 0 C-N-CA 122.789 0.436 . . . . 0.0 110.248 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 ttp85 -72.18 155.18 40.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -57.69 -23.75 53.24 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.521 0.201 . . . . 0.0 110.68 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -68.23 -50.53 53.39 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.179 0.592 . . . . 0.0 110.877 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.0 mm -74.75 -26.96 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 122.754 0.421 . . . . 0.0 110.838 -174.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.7 t80 . . . . . 0 N--CA 1.451 -0.396 0 C-N-CA 123.278 0.631 . . . . 0.0 111.773 -177.594 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.412 ' C ' HD12 ' C' ' 3' ' ' ILE . 4.2 mt -139.97 152.24 46.15 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 176.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.424 ' C ' HD22 ' C' ' 4' ' ' LEU . 4.5 mp -136.87 139.69 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.424 HD22 ' C ' ' C' ' 3' ' ' ILE . 4.3 mm? -131.59 162.41 30.4 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.744 1.218 . . . . 0.0 108.394 -178.186 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -136.82 87.57 2.3 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 172.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.647 HH21 HG22 ' C' ' 22' ' ' ILE . 8.8 ttp180 -104.69 177.25 4.9 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 125.352 1.461 . . . . 0.0 109.946 -173.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -134.76 170.86 15.2 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 118.668 0.667 . . . . 0.0 111.959 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.478 ' HA ' HG13 ' C' ' 22' ' ' ILE . 6.2 m -56.07 134.08 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.921 -173.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.12 -11.93 63.81 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 115.556 -0.747 . . . . 0.0 113.021 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -88.89 179.29 6.22 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.291 1.045 . . . . 0.0 111.504 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -145.95 165.35 29.22 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.417 HG22 ' N ' ' C' ' 13' ' ' ASN . 36.8 mm -141.99 167.56 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.928 1.691 . . . . 0.0 107.76 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ASN . . . . . 0.417 ' N ' HG22 ' C' ' 12' ' ' ILE . 20.7 m120 -135.86 153.5 51.46 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-O 121.136 0.493 . . . . 0.0 111.922 -177.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.6 mt -138.96 147.48 24.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.93 -139.35 33.04 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -130.52 11.78 5.35 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.337 0.655 . . . . 0.0 110.292 176.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -140.18 11.15 2.37 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.869 0.867 . . . . 0.0 112.007 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.22 145.28 35.57 Favored 'Isoleucine or valine' 0 C--N 1.342 0.25 0 CA-C-N 118.942 0.792 . . . . 0.0 110.586 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 51.3 m -140.53 153.35 46.13 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.817 0.847 . . . . 0.0 108.828 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -133.66 144.89 34.55 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 38.6 m -140.19 147.01 39.47 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.647 HG22 HH21 ' C' ' 6' ' ' ARG . 2.4 tp -105.27 97.54 5.73 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.58 -27.32 65.95 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -173.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.439 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 157.07 -173.2 34.67 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 118.02 0.373 . . . . 0.0 112.481 175.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.5 m -135.11 163.36 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 117.157 0.478 . . . . 0.0 111.476 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 29.1 t -151.85 89.81 1.49 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.873 0.869 . . . . 0.0 109.269 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.15 -92.7 0.95 Allowed Glycine 0 C--N 1.338 0.645 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -113.43 -19.02 11.86 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 122.858 0.463 . . . . 0.0 109.99 173.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -68.97 147.28 51.86 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -138.01 106.53 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -82.48 125.63 31.31 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mt -128.89 155.34 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -171.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.42 154.27 19.92 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 57.1 mt -140.57 144.08 27.94 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -140.49 107.11 5.33 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -175.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.82 157.02 41.15 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 123.738 0.815 . . . . 0.0 109.969 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.12 158.08 53.89 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.152 2.568 . . . . 0.0 111.231 175.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' C' ' 38' ' ' LYS . 3.2 mmmp? -71.91 -1.73 15.41 Favored 'General case' 0 CA--C 1.524 -0.043 0 N-CA-C 110.48 -0.192 . . . . 0.0 110.48 175.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.12 -6.52 34.6 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.06 0.944 . . . . 0.0 111.028 173.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.59 168.65 19.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 123.882 0.873 . . . . 0.0 109.198 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.53 155.91 22.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.154 -0.341 . . . . 0.0 111.078 -175.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -156.01 127.42 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 174.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -156.7 171.49 20.27 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 124.123 0.969 . . . . 0.0 108.952 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -82.52 166.03 19.64 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -57.33 -24.22 53.74 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -172.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -69.3 -47.18 65.25 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.869 0.366 . . . . 0.0 111.127 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm -77.62 -25.9 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.383 -172.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 80.0 t80 . . . . . 0 N--CA 1.452 -0.368 0 C-N-CA 122.528 0.331 . . . . 0.0 111.553 -179.228 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mt -138.39 151.18 47.25 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.79 146.77 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -146.84 166.24 27.28 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 123.877 0.871 . . . . 0.0 109.838 -175.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -130.84 96.26 4.03 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 172.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -104.31 162.02 13.56 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.33 1.052 . . . . 0.0 108.444 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -124.36 168.77 12.56 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 119.594 1.088 . . . . 0.0 111.058 175.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.435 ' HA ' HG13 ' A' ' 22' ' ' ILE . 10.2 m -57.05 135.23 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.533 -170.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.03 -3.01 66.63 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.616 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -102.53 -179.47 3.98 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 117.919 0.859 . . . . 0.0 110.426 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.7 m -142.69 168.24 20.18 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-O 121.553 0.692 . . . . 0.0 112.785 -173.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -144.01 165.57 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.899 1.68 . . . . 0.0 106.68 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -141.5 156.97 45.7 Favored 'General case' 0 N--CA 1.461 0.081 0 CA-C-N 118.979 0.809 . . . . 0.0 112.11 -175.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.1 mt -141.4 149.72 20.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 123.95 0.9 . . . . 0.0 108.911 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.62 -140.41 33.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -129.56 10.64 5.67 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.549 0.74 . . . . 0.0 110.305 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -141.36 11.5 2.13 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 123.897 0.879 . . . . 0.0 112.035 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -127.77 146.13 33.93 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 CA-C-N 119.419 1.008 . . . . 0.0 110.924 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.7 m -140.51 155.89 46.5 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.897 0.879 . . . . 0.0 108.87 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -136.35 147.72 27.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 C-N-CA 124.514 1.125 . . . . 0.0 108.113 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -142.64 146.33 34.38 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.435 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.2 tp -105.41 90.77 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mt -62.96 -29.48 70.84 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -172.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.55 -170.03 35.72 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-N 118.407 0.549 . . . . 0.0 112.238 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -135.33 160.91 40.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 117.112 0.456 . . . . 0.0 111.436 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -150.25 89.37 1.58 Allowed 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.23 -135.01 29.31 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -74.15 -19.14 60.66 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 117.893 0.846 . . . . 0.0 109.999 176.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.4 150.19 46.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.5 t -139.46 119.28 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -85.86 129.15 34.91 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -133.3 155.15 40.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -171.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.91 154.69 21.26 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.5 mt -140.31 142.87 30.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -140.46 107.02 5.31 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.5 157.63 44.61 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.78 0.832 . . . . 0.0 109.241 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.54 159.4 44.77 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.948 2.432 . . . . 0.0 111.108 175.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 11.2 mmmm -70.68 -0.37 8.63 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-O 121.094 0.473 . . . . 0.0 110.014 172.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.45 -11.57 58.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.837 1.255 . . . . 0.0 110.758 173.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -138.98 168.62 18.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.203 1.001 . . . . 0.0 109.609 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.13 157.08 20.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 122.278 -0.264 . . . . 0.0 111.211 -176.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -155.88 127.6 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -155.03 173.51 16.47 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 122.906 0.482 . . . . 0.0 110.445 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -70.04 156.4 39.21 Favored 'General case' 0 N--CA 1.458 -0.061 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 174.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -58.23 -23.31 55.4 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.627 0.251 . . . . 0.0 110.786 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -68.6 -48.63 63.65 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.087 0.555 . . . . 0.0 110.663 178.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.4 mm -76.59 -25.64 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 CA-C-O 120.844 0.354 . . . . 0.0 110.371 -174.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.3 t80 . . . . . 0 N--CA 1.453 -0.279 0 C-N-CA 123.452 0.701 . . . . 0.0 111.535 -178.124 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.4 tpt . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 119.434 -0.317 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mt -136.92 153.33 50.75 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -138.29 146.15 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.3 mt -145.53 167.1 23.83 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.836 0.854 . . . . 0.0 109.639 -176.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -137.07 90.31 2.52 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.401 ' CD ' HD11 ' C' ' 12' ' ' ILE . 1.2 mmp_? -104.68 166.37 10.43 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 124.986 1.314 . . . . 0.0 109.591 -175.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -124.71 171.0 10.44 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 118.866 0.757 . . . . 0.0 111.589 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.463 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.4 m -56.51 132.43 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.372 -170.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.14 -15.11 55.11 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.206 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -86.01 177.72 7.49 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.153 0.977 . . . . 0.0 111.618 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -145.99 163.74 34.26 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.149 0.58 . . . . 0.0 111.347 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.401 HD11 ' CD ' ' C' ' 6' ' ' ARG . 40.6 mm -141.54 165.85 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 125.986 1.714 . . . . 0.0 107.069 -178.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -137.92 154.63 49.41 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 118.982 0.81 . . . . 0.0 112.353 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 48.4 mt -141.09 148.28 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.049 0.94 . . . . 0.0 108.624 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.0 -140.68 38.39 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -129.99 10.59 5.47 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 123.758 0.823 . . . . 0.0 109.658 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -142.31 11.4 1.93 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.343 0.657 . . . . 0.0 111.762 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -128.72 147.25 33.19 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 CA-C-N 118.83 0.741 . . . . 0.0 110.585 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 35.6 m -141.03 157.26 45.56 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -135.05 148.05 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 27.4 m -143.81 145.2 32.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.43 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.3 tp -106.06 95.68 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.9 -28.53 66.76 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.199 -0.313 . . . . 0.0 111.519 -172.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.75 -173.6 37.28 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 117.918 0.326 . . . . 0.0 112.793 178.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -133.66 161.46 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-O 121.17 0.51 . . . . 0.0 111.58 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -150.2 89.26 1.57 Allowed 'General case' 0 C--O 1.231 0.082 0 C-N-CA 124.692 1.197 . . . . 0.0 108.491 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.33 -102.97 1.24 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -106.68 -19.14 13.75 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 117.198 0.499 . . . . 0.0 109.702 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -69.54 146.99 51.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -136.17 117.73 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -79.3 117.94 20.77 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 176.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -124.9 153.26 31.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -176.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.44 156.44 21.84 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.8 mt -140.79 139.09 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -135.2 98.63 4.03 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.32 0.581 . . . . 0.0 109.805 -173.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.37 153.98 59.89 Favored Pre-proline 0 N--CA 1.448 -0.566 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.761 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.51 152.18 78.9 Favored 'Trans proline' 0 N--CA 1.443 -1.466 0 C-N-CA 122.213 1.942 . . . . 0.0 110.049 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -7.01 9.42 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 121.217 0.532 . . . . 0.0 110.995 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.69 -9.34 19.17 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.702 1.601 . . . . 0.0 112.04 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -133.81 167.56 26.02 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.19 153.6 20.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.558 -174.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -158.84 129.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 123.173 0.589 . . . . 0.0 109.5 174.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -155.37 173.14 17.08 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.39 0.676 . . . . 0.0 109.548 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -76.62 166.73 22.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -59.57 -25.12 64.31 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -174.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -66.67 -52.84 40.32 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 120.878 0.371 . . . . 0.0 110.669 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.3 mm -73.02 -30.18 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.556 -173.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.9 t80 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.179 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.507 -0.282 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 mt -140.53 151.44 44.76 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.674 0.389 . . . . 0.0 110.103 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.64 145.41 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -146.69 165.79 28.53 Favored 'General case' 0 C--O 1.23 0.075 0 C-N-CA 123.81 0.844 . . . . 0.0 110.449 -173.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.94 96.62 3.96 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-O 121.656 0.741 . . . . 0.0 109.579 173.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -99.22 163.04 12.72 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.168 1.787 . . . . 0.0 108.747 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -127.54 168.81 14.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.895 1.225 . . . . 0.0 110.568 171.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.448 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 8.3 m -57.61 133.66 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 121.491 0.662 . . . . 0.0 111.999 -170.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.88 -1.06 63.04 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.581 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -105.98 179.4 4.28 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 117.944 0.872 . . . . 0.0 110.341 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.1 m -142.75 168.53 19.49 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -172.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.7 mt -142.79 165.69 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.035 1.734 . . . . 0.0 106.788 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -139.85 155.24 47.33 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 119.393 0.997 . . . . 0.0 112.082 -175.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.4 mt -140.31 148.11 22.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 123.969 0.907 . . . . 0.0 108.943 177.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.71 -138.97 32.8 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -129.71 10.26 5.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.11 0.564 . . . . 0.0 109.884 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -140.83 10.99 2.23 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 123.367 0.667 . . . . 0.0 111.67 -177.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -129.32 145.56 35.56 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 CA-C-N 118.993 0.815 . . . . 0.0 110.418 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.4 m -140.76 156.45 46.18 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.6 mm -134.76 148.8 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.4 m -144.01 147.24 33.61 Favored 'General case' 0 N--CA 1.457 -0.086 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.444 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.1 tp -107.19 92.26 2.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.3 -26.46 68.07 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -173.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.448 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.69 -173.16 36.38 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 118.15 0.432 . . . . 0.0 112.856 175.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -137.38 162.1 33.58 Favored 'Isoleucine or valine' 0 C--N 1.34 0.164 0 C-N-CA 122.696 0.398 . . . . 0.0 110.966 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -150.47 89.57 1.58 Allowed 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.887 0.875 . . . . 0.0 108.658 176.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.49 -102.47 1.5 Allowed Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 -177.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -105.42 -15.94 14.88 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 117.339 0.57 . . . . 0.0 109.68 174.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -69.28 147.31 51.37 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -141.21 109.54 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -85.16 124.39 31.77 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -128.61 155.42 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -171.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.24 155.5 20.39 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 109.791 -1.323 . . . . 0.0 109.791 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.1 mt -140.39 131.43 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -130.45 99.38 4.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.284 0.564 . . . . 0.0 110.052 -173.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.34 154.78 64.37 Favored Pre-proline 0 N--CA 1.448 -0.572 0 C-N-CA 124.143 0.977 . . . . 0.0 108.562 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.428 ' C ' ' H ' ' A' ' 39' ' ' ASP . 21.8 Cg_endo -60.08 154.96 47.72 Favored 'Trans proline' 0 N--CA 1.443 -1.457 0 C-N-CA 122.13 1.887 . . . . 0.0 109.985 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.85 -3.11 2.19 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.039 0.447 . . . . 0.0 109.903 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 37' ' ' PRO . 19.1 t70 -70.09 -13.58 62.27 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.984 2.114 . . . . 0.0 112.48 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.57 167.51 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.113 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.9 150.84 22.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.676 0.274 . . . . 0.0 110.963 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.47 128.6 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 174.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -153.98 173.15 16.37 Favored 'General case' 0 CA--C 1.527 0.081 0 C-N-CA 122.927 0.491 . . . . 0.0 109.906 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.2 mtm105 -75.14 162.8 28.19 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.68 -23.5 64.89 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.317 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -71.84 -34.5 69.33 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.723 0.409 . . . . 0.0 111.463 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -91.31 -30.22 4.79 Favored 'Isoleucine or valine' 0 C--N 1.337 0.057 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -176.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.4 t80 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -177.213 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mt -140.35 156.06 46.56 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -137.27 147.59 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -145.26 165.61 27.91 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.919 0.888 . . . . 0.0 110.087 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.38 96.63 3.3 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.36 178.64 4.5 Favored 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 123.894 0.878 . . . . 0.0 109.325 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -128.67 172.42 11.25 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.877 0.308 . . . . 0.0 110.975 172.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.6 131.16 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 121.232 0.539 . . . . 0.0 112.114 -172.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.24 -7.88 58.67 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.329 175.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -92.05 -179.98 5.42 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 117.926 0.863 . . . . 0.0 110.705 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -142.39 166.14 25.49 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -173.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 50.3 mt -144.42 166.95 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 125.736 1.614 . . . . 0.0 107.004 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -141.61 156.07 45.69 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.118 0.872 . . . . 0.0 112.641 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 43.7 mt -143.36 149.15 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 124.248 1.019 . . . . 0.0 108.861 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.58 -141.26 35.71 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -129.13 10.16 5.8 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.622 0.769 . . . . 0.0 109.912 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -142.45 10.38 1.86 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.316 0.646 . . . . 0.0 111.485 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.29 145.93 34.6 Favored 'Isoleucine or valine' 0 C--N 1.341 0.225 0 CA-C-N 118.639 0.654 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -140.13 157.04 46.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.9 mm -135.18 148.69 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 10.9 m -142.61 153.78 43.79 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.73 94.9 3.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.47 -29.84 69.39 Favored 'General case' 0 C--N 1.341 0.227 0 O-C-N 121.716 -0.615 . . . . 0.0 112.601 -169.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.66 -172.1 38.64 Favored Glycine 0 C--N 1.34 0.77 0 CA-C-N 118.652 0.66 . . . . 0.0 112.489 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 m -133.77 162.05 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.223 0.535 . . . . 0.0 111.67 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 51.8 p -150.78 89.9 1.58 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.41 -126.66 11.5 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -175.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -84.06 -17.22 41.04 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 117.641 0.721 . . . . 0.0 109.528 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.9 147.26 48.96 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 74.5 t -137.79 115.92 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -85.76 125.42 33.22 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.2 mt -127.72 154.86 38.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -171.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.77 154.25 19.63 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 109.784 -1.326 . . . . 0.0 109.784 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 77.8 mt -140.36 138.28 36.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -135.24 98.79 4.07 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.097 0.475 . . . . 0.0 109.953 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.93 153.49 57.31 Favored Pre-proline 0 N--CA 1.448 -0.536 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.346 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.12 153.03 72.19 Favored 'Trans proline' 0 N--CA 1.445 -1.346 0 C-N-CA 122.657 2.238 . . . . 0.0 110.239 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -64.44 -8.26 12.88 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 121.21 0.528 . . . . 0.0 110.531 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.65 -9.33 18.9 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.573 1.549 . . . . 0.0 112.265 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -134.08 167.7 25.59 Favored 'Isoleucine or valine' 0 C--N 1.34 0.157 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.43 154.15 18.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -176.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -160.48 128.62 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.103 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 172.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -154.81 172.23 18.33 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 122.925 0.49 . . . . 0.0 109.801 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -73.11 161.8 30.19 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -60.83 -23.24 64.95 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.653 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -68.88 -47.91 64.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.549 0.34 . . . . 0.0 110.849 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 17.0 mm -77.03 -24.78 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-O 120.723 0.296 . . . . 0.0 110.48 -174.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 t80 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 122.565 0.346 . . . . 0.0 111.717 -179.265 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.42 ' C ' HD12 ' A' ' 3' ' ' ILE . 4.5 mt -140.19 152.31 45.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.42 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.4 mp -133.81 146.21 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -147.17 169.62 18.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.787 0.835 . . . . 0.0 109.877 -175.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -135.54 98.39 3.93 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 171.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.41 162.6 13.09 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.032 1.333 . . . . 0.0 108.854 -177.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -125.11 169.27 12.35 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 119.805 1.184 . . . . 0.0 111.572 174.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.446 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.2 m -59.39 135.4 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.02 -170.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.14 0.77 65.42 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.208 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -105.97 -179.57 3.98 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.836 0.818 . . . . 0.0 110.294 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -145.38 173.54 11.91 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -172.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.3 mt -152.36 158.16 4.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 127.211 2.204 . . . . 0.0 106.393 -173.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -136.15 157.81 45.91 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 118.731 0.696 . . . . 0.0 111.719 -175.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.9 mt -140.02 144.23 28.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 124.539 1.136 . . . . 0.0 108.792 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.05 -136.84 37.89 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.284 -1.127 . . . . 0.0 110.284 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -130.13 10.14 5.35 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.087 0.555 . . . . 0.0 110.262 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -141.88 10.93 2.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.115 0.566 . . . . 0.0 112.32 -176.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.08 146.45 34.08 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 CA-C-N 119.009 0.822 . . . . 0.0 110.446 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.3 m -138.63 156.02 47.8 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.761 0.824 . . . . 0.0 109.193 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -136.51 145.89 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.654 1.182 . . . . 0.0 108.112 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.5 m -142.72 147.1 35.07 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.556 0.217 . . . . 0.0 110.416 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.429 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 tp -105.91 92.72 2.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.41 -33.34 75.32 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.14 -0.35 . . . . 0.0 111.051 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.446 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.88 -171.38 38.66 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.636 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 m -133.58 160.59 42.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 CA-C-O 120.818 0.342 . . . . 0.0 111.428 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.7 p -150.69 89.41 1.55 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.98 -121.57 9.36 Favored Glycine 0 C--N 1.338 0.686 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -175.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -88.36 -19.03 27.18 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 117.707 0.754 . . . . 0.0 109.713 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.69 146.11 51.83 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.6 t -137.54 118.25 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -79.92 119.46 22.81 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -126.46 152.98 34.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.22 156.35 22.34 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.7 mt -140.3 144.24 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -175.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -140.89 108.06 5.48 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.53 158.01 38.27 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 123.609 0.764 . . . . 0.0 109.792 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.68 158.33 50.97 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 123.274 2.649 . . . . 0.0 110.738 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -69.06 -0.82 6.28 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-O 121.228 0.537 . . . . 0.0 110.205 173.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.78 -10.27 45.75 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.803 1.241 . . . . 0.0 110.938 173.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -138.66 167.91 20.33 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 C-N-CA 123.8 0.84 . . . . 0.0 109.399 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.15 153.61 22.91 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.685 0.279 . . . . 0.0 110.641 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.17 129.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -155.59 170.49 21.87 Favored 'General case' 0 C--N 1.335 -0.046 0 C-N-CA 123.623 0.769 . . . . 0.0 109.433 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -77.05 164.59 25.58 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 173.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -59.15 -20.67 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -70.84 -48.3 54.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.024 -0.423 . . . . 0.0 111.223 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.4 mm -77.78 -24.92 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.094 0 CA-C-O 120.629 0.252 . . . . 0.0 110.341 -173.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 84.3 t80 . . . . . 0 N--CA 1.454 -0.233 0 C-N-CA 123.108 0.563 . . . . 0.0 112.067 -177.787 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.4 tpt . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mt -137.71 154.23 49.67 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -136.36 147.4 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -144.6 165.3 28.41 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.079 0.952 . . . . 0.0 109.335 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.65 95.94 4.12 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 172.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 3.7 tpm_? -101.59 162.47 12.88 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.848 1.259 . . . . 0.0 108.183 -177.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -128.46 167.45 17.04 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 119.19 0.904 . . . . 0.0 110.951 174.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.433 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.5 m -55.4 130.54 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.307 -170.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.85 -2.2 56.89 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.659 176.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -107.95 -179.29 3.85 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.174 0.987 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 32.5 m -142.24 168.78 18.92 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 73.6 mt -140.93 163.72 21.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 126.758 2.023 . . . . 0.0 106.508 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -138.93 154.09 48.31 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 119.053 0.842 . . . . 0.0 112.099 -175.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mt -141.44 147.65 21.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 123.83 0.852 . . . . 0.0 108.892 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.0 -139.34 33.34 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -130.21 10.76 5.39 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.222 0.609 . . . . 0.0 110.052 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -141.37 11.01 2.11 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.317 0.647 . . . . 0.0 111.555 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.7 144.43 38.09 Favored 'Isoleucine or valine' 0 C--N 1.343 0.288 0 CA-C-N 118.844 0.747 . . . . 0.0 110.914 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 52.9 m -141.05 155.43 46.16 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.469 1.108 . . . . 0.0 108.063 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -133.55 147.77 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 10.0 m -140.79 145.67 36.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.862 0.363 . . . . 0.0 110.24 -176.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.416 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.2 tp -106.14 92.3 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.09 -26.2 66.6 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -171.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.433 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 159.57 -172.07 36.11 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 118.118 0.417 . . . . 0.0 112.309 177.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -133.14 160.36 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.087 0 CA-C-N 117.281 0.541 . . . . 0.0 111.403 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.5 t -150.9 89.43 1.54 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.63 -132.84 29.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 109.374 -1.491 . . . . 0.0 109.374 -174.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -77.12 -20.61 55.41 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 117.642 0.721 . . . . 0.0 109.332 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.67 147.13 51.01 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 176.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 89.7 t -137.27 123.23 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -85.75 127.77 34.62 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 mt -134.97 154.9 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -170.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.48 157.35 22.02 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.9 mt -139.95 135.0 37.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -134.44 98.26 4.04 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.246 0.546 . . . . 0.0 109.838 -174.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.26 155.21 50.39 Favored Pre-proline 0 N--CA 1.447 -0.6 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.73 154.13 62.74 Favored 'Trans proline' 0 N--CA 1.443 -1.492 0 C-N-CA 121.958 1.772 . . . . 0.0 109.333 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -63.64 -6.03 4.84 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 121.626 0.727 . . . . 0.0 110.057 175.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -63.23 -10.78 17.12 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 126.119 1.768 . . . . 0.0 112.041 175.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 m -134.15 158.43 42.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.73 142.96 29.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.492 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.418 ' CG2' HD12 ' A' ' 2' ' ' LEU . 4.7 m -147.63 135.13 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 172.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -155.12 165.13 37.66 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -67.16 157.68 33.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 172.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -64.24 -8.92 14.23 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.7 -48.75 53.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.929 -0.482 . . . . 0.0 110.714 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.3 mm -78.51 -24.86 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-O 120.649 0.262 . . . . 0.0 110.544 -173.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 79.9 t80 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 -179.875 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.415 -0.326 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mt -137.98 153.58 49.43 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -136.17 145.83 30.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -146.46 166.58 25.97 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.013 0.925 . . . . 0.0 109.357 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m -134.64 94.44 3.19 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -104.38 162.61 13.07 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.9 1.28 . . . . 0.0 108.722 -175.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -124.23 169.27 11.91 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 119.812 1.187 . . . . 0.0 111.781 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.461 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 6.2 m -58.73 131.77 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.968 -170.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.14 -1.79 57.71 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.106 177.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -104.22 179.6 4.22 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.592 0.696 . . . . 0.0 110.162 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.6 m -143.16 168.26 20.17 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -173.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.0 mt -143.16 164.94 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -139.47 155.33 47.64 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.828 0.74 . . . . 0.0 111.823 -176.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.9 mt -141.92 149.01 20.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.02 -140.27 35.45 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -129.24 10.29 5.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.652 0.781 . . . . 0.0 109.663 177.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -144.27 11.94 1.54 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.53 0.732 . . . . 0.0 111.7 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.63 146.78 33.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 CA-C-N 118.951 0.796 . . . . 0.0 110.509 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.7 m -141.08 155.4 46.15 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 mm -135.03 147.86 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -142.97 145.5 33.04 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.429 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.0 OUTLIER -105.8 91.89 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.2 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.28 -27.85 68.25 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -172.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.461 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.97 -173.42 36.64 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 118.181 0.446 . . . . 0.0 113.01 178.396 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -135.98 161.91 37.25 Favored 'Isoleucine or valine' 0 C--N 1.339 0.149 0 CA-C-O 120.805 0.336 . . . . 0.0 111.456 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -150.07 89.46 1.6 Allowed 'General case' 0 CA--C 1.523 -0.088 0 C-N-CA 124.178 0.991 . . . . 0.0 108.732 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.85 -102.54 1.33 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -106.8 -18.07 14.04 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -70.29 150.6 46.21 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -138.61 118.34 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -88.21 124.16 33.57 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -130.09 154.56 40.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -170.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.49 156.77 22.02 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -140.58 145.43 25.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -176.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -140.8 107.24 5.28 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.13 156.76 43.45 Favored Pre-proline 0 N--CA 1.454 -0.226 0 C-N-CA 123.097 0.559 . . . . 0.0 110.384 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.87 157.06 58.64 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 123.445 2.763 . . . . 0.0 111.061 175.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 38' ' ' LYS . 8.8 mmmm -72.61 -0.78 13.84 Favored 'General case' 0 N--CA 1.46 0.055 0 CA-C-O 120.764 0.316 . . . . 0.0 110.751 175.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.24 -8.16 47.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.97 0.908 . . . . 0.0 110.389 171.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m -139.23 169.1 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.322 1.049 . . . . 0.0 109.041 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.22 162.54 18.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.114 -0.367 . . . . 0.0 111.186 -174.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 p -156.9 127.11 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 123.47 0.708 . . . . 0.0 109.356 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -154.68 173.33 16.54 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 122.629 0.372 . . . . 0.0 110.785 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -72.11 155.87 39.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 169.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -19.6 17.38 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -178.076 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -63.94 -48.73 75.37 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.434 0.561 . . . . 0.0 110.146 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.0 mm -77.67 -26.93 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.208 -174.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.5 t80 . . . . . 0 N--CA 1.452 -0.344 0 C-N-CA 122.848 0.459 . . . . 0.0 111.279 -177.991 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 119.429 -0.319 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' C' ' 2' ' ' LEU . 0.8 OUTLIER -138.3 155.95 48.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 175.508 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.404 HD12 ' C ' ' C' ' 2' ' ' LEU . 4.9 mp -135.28 148.57 28.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.126 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 85.5 mt -146.65 171.07 15.68 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.05 0.94 . . . . 0.0 110.023 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -139.56 106.23 5.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.102 0.477 . . . . 0.0 110.29 170.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.72 177.73 4.76 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.531 1.133 . . . . 0.0 109.367 176.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -132.7 170.44 15.23 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 110.455 169.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.449 ' HA ' HG13 ' C' ' 22' ' ' ILE . 10.6 m -57.3 133.9 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-O 121.059 0.457 . . . . 0.0 112.05 -172.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.93 -2.39 59.99 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.285 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -104.55 -178.62 3.71 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.824 0.812 . . . . 0.0 111.539 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 12.5 p -147.07 169.45 19.23 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -176.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 mm -139.81 164.47 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 127.245 2.218 . . . . 0.0 106.851 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -136.58 153.63 50.91 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.789 -0.569 . . . . 0.0 111.485 -174.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 39.3 mt -142.62 147.4 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.61 0.764 . . . . 0.0 109.139 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.17 -139.27 41.49 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -129.91 10.07 5.44 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.313 0.645 . . . . 0.0 110.108 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -143.97 11.42 1.59 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.555 0.742 . . . . 0.0 111.967 -177.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.29 144.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 CA-C-N 119.013 0.824 . . . . 0.0 110.487 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 88.8 m -141.26 155.68 45.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.961 0.904 . . . . 0.0 108.864 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.5 mm -133.68 145.41 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.0 m -139.42 145.51 38.98 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.449 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.4 tp -105.9 95.18 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.25 -29.03 69.19 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -173.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.433 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.66 -171.25 35.35 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.7 m -133.26 161.82 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-O 121.374 0.606 . . . . 0.0 111.504 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 34.4 t -151.17 89.68 1.54 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.01 -132.07 25.84 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 108.961 -1.656 . . . . 0.0 108.961 -174.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -79.12 -17.45 55.07 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 117.729 0.765 . . . . 0.0 109.755 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.65 146.38 50.02 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -137.5 118.87 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 106.077 -1.824 . . . . 0.0 106.077 -177.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -87.47 126.12 34.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -131.17 155.35 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -170.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.75 155.85 21.4 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.37 143.02 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -140.15 105.94 5.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.79 156.89 41.24 Favored Pre-proline 0 N--CA 1.451 -0.419 0 C-N-CA 123.782 0.833 . . . . 0.0 109.527 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.48 159.19 45.57 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.276 2.651 . . . . 0.0 110.761 175.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 38' ' ' LYS . . . . . 0.423 ' HD2' ' HA ' ' C' ' 38' ' ' LYS . 10.8 mmmm -70.27 -0.53 8.18 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-O 121.177 0.513 . . . . 0.0 110.434 172.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -67.02 -11.56 57.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.899 1.279 . . . . 0.0 110.655 173.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 m -138.85 168.09 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.958 0.903 . . . . 0.0 109.769 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.81 157.96 17.35 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.614 0.245 . . . . 0.0 110.769 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -157.52 128.81 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.23 0.066 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 173.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -155.18 171.05 20.44 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.474 0.71 . . . . 0.0 109.617 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -75.69 165.27 25.31 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 173.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -59.98 -20.92 60.24 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -175.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -70.13 -49.62 48.78 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 122.075 -0.391 . . . . 0.0 111.472 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 18.4 mm -76.77 -25.54 15.92 Favored 'Isoleucine or valine' 0 C--N 1.337 0.063 0 CA-C-O 120.961 0.41 . . . . 0.0 110.696 -173.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 87.1 t80 . . . . . 0 N--CA 1.451 -0.398 0 C-N-CA 122.703 0.401 . . . . 0.0 111.326 -178.06 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 tpt . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.402 ' C ' HD12 ' A' ' 3' ' ' ILE . 5.3 mt -137.64 151.58 48.44 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.402 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.6 mp -134.71 144.45 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.9 mt -147.84 166.05 28.74 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 123.812 0.845 . . . . 0.0 109.797 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -133.83 96.39 3.66 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-O 121.201 0.524 . . . . 0.0 109.957 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.406 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -93.01 179.45 5.44 Favored 'General case' 0 C--N 1.335 -0.064 0 C-N-CA 125.013 1.325 . . . . 0.0 109.218 177.751 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -136.08 172.32 13.19 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 168.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.425 ' HA ' HG13 ' A' ' 22' ' ' ILE . 11.7 m -59.72 135.09 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-O 121.078 0.466 . . . . 0.0 111.834 -172.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.64 -1.28 61.67 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.301 178.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -102.08 -179.67 4.06 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 117.968 0.884 . . . . 0.0 110.878 -178.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 m -144.7 168.79 19.34 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -173.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.406 HD11 ' HD2' ' A' ' 6' ' ' ARG . 36.8 mm -142.87 164.4 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 126.014 1.726 . . . . 0.0 106.887 178.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -138.57 153.88 48.7 Favored 'General case' 0 C--O 1.23 0.078 0 O-C-N 121.422 -0.799 . . . . 0.0 111.564 -176.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.9 mt -141.07 146.83 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.0 -138.06 35.64 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -130.11 10.56 5.41 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.096 0.558 . . . . 0.0 109.744 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -142.42 11.83 1.92 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.609 0.764 . . . . 0.0 111.784 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.98 143.94 39.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 CA-C-N 118.707 0.685 . . . . 0.0 110.272 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 m -141.18 155.85 46.01 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.3 mm -135.37 148.43 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -178.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.4 m -142.32 146.85 35.47 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.425 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 tp -105.57 93.56 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 mt -63.4 -30.92 71.97 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -174.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.416 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.17 -170.17 34.9 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.1 m -128.93 161.51 38.03 Favored 'Isoleucine or valine' 0 C--O 1.23 0.062 0 CA-C-O 121.242 0.544 . . . . 0.0 111.165 178.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -150.21 89.3 1.57 Allowed 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.86 -139.97 35.62 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -173.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -71.33 -15.84 62.42 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 117.826 0.813 . . . . 0.0 110.064 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.44 149.79 38.45 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.5 t -135.19 124.25 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -177.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.1 ttm105 -94.02 125.05 38.42 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -132.23 155.35 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.619 -168.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.83 156.47 21.44 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.3 mt -140.62 142.24 30.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -176.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -140.14 106.27 5.23 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.11 156.01 43.5 Favored Pre-proline 0 N--CA 1.453 -0.286 0 C-N-CA 123.738 0.815 . . . . 0.0 109.92 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.7 159.0 47.41 Favored 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 123.202 2.602 . . . . 0.0 111.129 176.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -72.41 -0.85 13.6 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 122.674 0.39 . . . . 0.0 110.443 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -72.39 -6.26 42.21 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 124.263 1.025 . . . . 0.0 110.814 173.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m -138.03 168.77 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.612 0.765 . . . . 0.0 109.478 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.74 155.81 21.95 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.871 0.367 . . . . 0.0 111.348 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.24 128.64 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -154.4 172.74 17.24 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.343 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -69.55 154.13 42.45 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -58.72 -22.57 57.89 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.549 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -67.97 -46.41 71.46 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.462 0.705 . . . . 0.0 111.144 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.5 mm -78.09 -28.51 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 122.253 0.221 . . . . 0.0 110.488 -174.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.6 t80 . . . . . 0 N--CA 1.452 -0.336 0 C-N-CA 123.155 0.582 . . . . 0.0 111.614 -177.366 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.2 tpt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.417 -0.325 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mt -134.89 154.03 51.83 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.297 0.499 . . . . 0.0 110.014 176.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.47 148.72 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 76.2 mt -145.86 165.27 29.4 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.824 0.849 . . . . 0.0 110.542 -173.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.61 96.26 2.95 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.415 ' HD2' HD11 ' C' ' 12' ' ' ILE . 1.3 mtp180 -106.81 168.9 8.87 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 124.498 1.119 . . . . 0.0 111.207 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -110.58 166.0 11.35 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -64.68 135.82 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 120.034 -0.667 . . . . 0.0 110.345 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.48 5.91 64.74 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.527 -0.596 . . . . 0.0 112.196 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -109.83 178.27 4.47 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.095 0.948 . . . . 0.0 111.034 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.5 m -143.61 168.11 20.66 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -171.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.415 HD11 ' HD2' ' C' ' 6' ' ' ARG . 39.8 mm -144.06 163.26 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 127.059 2.143 . . . . 0.0 107.089 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -135.15 155.92 49.87 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 118.732 0.696 . . . . 0.0 112.318 -176.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 43.2 mt -142.97 146.81 21.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.638 1.175 . . . . 0.0 109.115 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.8 -140.86 33.53 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 -178.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -130.19 10.5 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.455 0.702 . . . . 0.0 110.421 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -141.09 11.92 2.2 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.703 0.801 . . . . 0.0 111.947 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -128.81 144.16 38.94 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 CA-C-N 118.971 0.805 . . . . 0.0 111.029 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 42.7 m -140.7 156.14 46.29 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -133.32 145.75 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 53.3 m -142.24 146.06 34.75 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -105.46 99.21 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -67.61 -28.27 67.6 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -174.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.41 -172.84 34.23 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-N 117.944 0.338 . . . . 0.0 112.543 175.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -134.17 161.33 40.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.888 0.344 . . . . 0.0 111.366 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -150.34 89.74 1.6 Allowed 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.6 -102.29 1.49 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 109.786 -1.325 . . . . 0.0 109.786 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -107.06 -19.08 13.73 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 117.27 0.535 . . . . 0.0 109.73 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -68.1 149.72 49.28 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -139.66 110.28 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -84.47 124.65 31.59 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mt -127.05 155.04 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -171.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.07 154.51 19.87 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 177.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.9 mt -140.33 136.96 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -133.33 98.56 4.27 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 121.292 0.567 . . . . 0.0 110.037 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.86 153.22 57.22 Favored Pre-proline 0 N--CA 1.449 -0.479 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.058 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.9 152.77 77.21 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 122.28 1.987 . . . . 0.0 109.823 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -7.39 12.11 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-O 121.587 0.708 . . . . 0.0 111.017 177.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.46 -9.57 19.43 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.528 1.531 . . . . 0.0 112.193 174.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.38 167.94 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.68 155.12 18.52 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.813 -175.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -160.37 131.12 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 172.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -155.45 170.94 20.78 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.04 0.536 . . . . 0.0 110.427 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -73.06 157.48 37.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 170.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -21.76 63.87 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.812 -0.755 . . . . 0.0 111.337 177.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.49 -28.53 69.26 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 122.192 -0.318 . . . . 0.0 110.362 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 14.4 mm -99.46 -31.84 3.58 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.101 0 C-N-CA 122.609 0.364 . . . . 0.0 110.111 -176.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 75.5 t80 . . . . . 0 N--CA 1.454 -0.264 0 C-N-CA 122.346 0.259 . . . . 0.0 111.178 -178.603 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 tpt . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 119.5 -0.286 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 3' ' ' ILE . 5.1 mt -140.54 153.62 46.22 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 122.858 0.463 . . . . 0.0 110.132 175.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.415 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.5 mp -137.48 147.14 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.6 mt -144.25 167.27 22.82 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.263 1.025 . . . . 0.0 109.549 -176.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -134.14 99.28 4.36 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -103.52 177.71 4.76 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.41 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -133.47 169.4 17.02 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 172.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.434 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.9 m -57.45 132.96 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-O 121.257 0.551 . . . . 0.0 111.977 -172.219 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.43 -12.11 59.89 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.659 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -87.84 -178.62 6.08 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 117.84 0.82 . . . . 0.0 111.331 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -145.45 167.63 22.49 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.341 0.591 . . . . 0.0 111.654 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -141.08 164.47 20.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 125.503 1.521 . . . . 0.0 106.936 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -138.66 153.7 48.59 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 118.833 0.742 . . . . 0.0 111.883 -176.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.6 mt -141.26 148.22 21.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.85 -141.08 33.28 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -130.21 10.73 5.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.193 0.597 . . . . 0.0 110.4 175.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -138.39 11.21 2.76 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.126 0.97 . . . . 0.0 111.625 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.67 144.68 37.26 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-N 119.154 0.888 . . . . 0.0 110.941 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.7 m -140.15 155.75 46.84 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.2 mm -134.3 149.12 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.6 m -140.66 146.47 37.91 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.431 HG13 ' HA ' ' A' ' 8' ' ' VAL . 2.0 tp -105.5 95.88 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.91 -28.79 68.59 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.151 -0.343 . . . . 0.0 111.481 -175.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.434 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.33 -171.06 35.13 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-N 118.082 0.401 . . . . 0.0 112.902 176.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -136.33 163.58 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 117.097 0.448 . . . . 0.0 111.434 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.7 t -152.03 89.67 1.47 Allowed 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.905 0.882 . . . . 0.0 108.966 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.4 -88.41 0.81 Allowed Glycine 0 C--N 1.338 0.672 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -118.98 -20.1 8.24 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 122.678 0.391 . . . . 0.0 109.958 174.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -71.72 149.72 45.17 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.5 t -137.19 110.74 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -81.36 125.63 30.61 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 mt -126.99 155.24 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -172.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.09 154.46 19.86 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -140.24 140.11 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -175.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -139.69 104.6 4.95 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -175.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.11 154.67 50.6 Favored Pre-proline 0 N--CA 1.448 -0.528 0 C-N-CA 124.087 0.955 . . . . 0.0 108.627 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -60.87 153.64 61.79 Favored 'Trans proline' 0 N--CA 1.444 -1.434 0 C-N-CA 122.292 1.995 . . . . 0.0 110.249 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -65.45 -5.01 6.59 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.944 0.402 . . . . 0.0 110.244 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -73.6 -7.97 54.09 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.05 1.74 . . . . 0.0 112.678 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.4 m -132.65 168.59 23.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.54 153.94 20.54 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.804 0.335 . . . . 0.0 111.541 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -157.15 128.24 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 174.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -155.46 173.05 17.23 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.952 0.501 . . . . 0.0 110.361 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 74.9 ttt180 -68.63 156.17 38.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 173.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -58.87 -22.96 60.25 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.673 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.41 ' H ' ' HG2' ' A' ' 44' ' ' ARG . 18.3 tp10 -67.65 -49.03 64.95 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.148 0.579 . . . . 0.0 110.752 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 mm -76.85 -24.87 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 122.385 0.274 . . . . 0.0 110.334 -173.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.3 t80 . . . . . 0 N--CA 1.45 -0.443 0 C-N-CA 123.018 0.527 . . . . 0.0 111.577 -178.525 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 19.0 tpt . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 119.493 -0.289 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mt -140.41 154.52 46.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.02 136.93 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -131.83 164.81 25.23 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 125.321 1.448 . . . . 0.0 109.252 -173.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.5 m -138.54 98.64 3.63 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 171.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -104.69 162.93 12.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.816 1.246 . . . . 0.0 108.695 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -124.46 168.54 12.92 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 119.365 0.984 . . . . 0.0 110.598 172.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.457 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.1 m -58.39 127.09 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.06 -170.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.22 3.08 54.28 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.41 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -115.26 177.03 4.81 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.19 0.995 . . . . 0.0 110.337 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 51.8 m -141.64 168.77 18.96 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -169.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 51.5 mt -141.81 165.15 18.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 126.193 1.797 . . . . 0.0 106.966 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -139.06 156.46 47.16 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 119.054 0.843 . . . . 0.0 112.3 -176.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 52.9 mt -140.99 150.86 20.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 124.083 0.953 . . . . 0.0 108.771 177.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.76 -140.0 34.98 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -129.48 10.41 5.68 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.84 0.856 . . . . 0.0 109.853 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -144.12 11.42 1.55 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.425 0.69 . . . . 0.0 111.839 -176.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.07 146.74 33.15 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 CA-C-N 118.865 0.757 . . . . 0.0 110.569 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -141.15 154.72 46.02 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.751 0.82 . . . . 0.0 108.93 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.4 145.54 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -143.29 146.44 33.59 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 121.018 0.437 . . . . 0.0 110.038 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.18 97.97 6.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 177.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.4 mt -68.04 -33.91 75.47 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.743 -174.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.457 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 165.32 -176.19 41.0 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.298 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.2 161.14 41.22 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 121.192 0.52 . . . . 0.0 111.201 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 19.0 p -151.52 89.46 1.49 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.863 0.865 . . . . 0.0 109.074 175.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.54 -99.28 1.46 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -112.4 -17.86 12.6 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.34 148.68 48.18 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -137.53 116.9 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.87 118.16 20.65 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 174.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -124.6 152.72 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -176.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.26 154.51 20.88 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -140.72 144.81 26.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -176.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -140.6 108.76 5.77 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -176.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.68 157.74 40.77 Favored Pre-proline 0 N--CA 1.455 -0.187 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.375 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.06 159.25 43.59 Favored 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 123.189 2.593 . . . . 0.0 111.04 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 38' ' ' LYS . . . . . 0.433 ' HD2' ' HA ' ' C' ' 38' ' ' LYS . 11.4 mmmm -71.03 -0.17 8.87 Favored 'General case' 0 C--O 1.23 0.054 0 CA-C-O 121.162 0.506 . . . . 0.0 110.069 173.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.49 -11.68 58.51 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.008 1.323 . . . . 0.0 110.594 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -139.24 168.1 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.158 0.983 . . . . 0.0 109.342 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.48 157.04 18.8 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.203 0.201 . . . . 0.0 110.521 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -156.71 128.57 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 175.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -156.21 172.3 18.69 Favored 'General case' 0 C--O 1.23 0.052 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.522 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 5.4 ptp85 -80.64 166.35 21.17 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -58.83 -23.55 60.78 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' GLU . . . . . 0.522 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 55.0 tt0 -69.65 -38.15 77.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.014 0.526 . . . . 0.0 112.0 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.7 mm -90.53 -24.62 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.0 t80 . . . . . 0 N--CA 1.448 -0.53 0 C-N-CA 122.647 0.379 . . . . 0.0 111.526 -179.843 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 tpt . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mt -136.04 156.31 48.92 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 172.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -138.36 147.54 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 175.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -143.16 167.62 21.68 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.709 0.804 . . . . 0.0 109.516 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -135.98 95.58 3.24 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 172.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.645 HH21 HG22 ' A' ' 22' ' ' ILE . 9.1 ttp180 -107.47 179.51 4.22 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.956 0.902 . . . . 0.0 109.562 -177.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -137.4 171.31 14.66 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 118.453 0.569 . . . . 0.0 111.533 174.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.468 ' HA ' HG13 ' A' ' 22' ' ' ILE . 10.3 m -56.79 136.28 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.982 -173.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.72 -6.52 67.5 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.064 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -94.38 179.24 5.36 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.277 1.038 . . . . 0.0 111.502 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.2 m -146.41 166.33 26.69 Favored 'General case' 0 C--N 1.341 0.223 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -178.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 13' ' ' ASN . 35.4 mm -143.87 168.6 11.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 125.893 1.677 . . . . 0.0 107.716 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.416 ' N ' HG22 ' A' ' 12' ' ' ILE . 19.0 m120 -136.65 153.6 50.87 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.106 0.479 . . . . 0.0 112.117 -176.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -140.34 150.14 21.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 124.088 0.955 . . . . 0.0 108.702 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.92 -140.08 31.64 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -129.84 10.55 5.53 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.162 0.585 . . . . 0.0 110.374 176.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -142.1 12.65 2.01 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.888 0.875 . . . . 0.0 111.883 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -127.82 146.9 32.71 Favored 'Isoleucine or valine' 0 C--N 1.34 0.163 0 CA-C-N 118.977 0.808 . . . . 0.0 111.114 -178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.9 m -141.16 155.04 46.14 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.295 1.038 . . . . 0.0 108.676 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.9 mm -134.48 145.72 32.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.1 m -140.46 148.97 41.95 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.645 HG22 HH21 ' A' ' 6' ' ' ARG . 2.8 tp -108.22 94.59 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -66.13 -27.97 68.44 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -173.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.432 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 155.99 -169.95 33.68 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 118.141 0.428 . . . . 0.0 112.151 177.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -131.94 161.97 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 CA-C-O 121.047 0.451 . . . . 0.0 111.181 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.5 t -150.99 90.39 1.61 Allowed 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 176.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.83 -135.46 28.39 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -173.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -75.32 -17.36 60.27 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 117.72 0.76 . . . . 0.0 110.267 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.9 149.96 47.28 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.4 t -137.97 119.27 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 105.799 -1.926 . . . . 0.0 105.799 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -87.94 127.76 35.37 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mt -135.35 155.22 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -169.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.15 154.79 21.17 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.161 -1.175 . . . . 0.0 110.161 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.8 mt -140.59 144.09 27.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -176.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -140.53 107.67 5.48 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.54 157.96 40.92 Favored Pre-proline 0 C--O 1.234 0.262 0 C-N-CA 123.809 0.844 . . . . 0.0 109.212 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -64.58 159.79 43.06 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.448 2.765 . . . . 0.0 110.858 175.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 11.2 mmmm -71.82 -0.53 11.41 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-O 121.025 0.441 . . . . 0.0 109.887 172.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.87 -11.61 56.41 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.704 1.201 . . . . 0.0 110.673 172.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -138.53 168.34 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.028 0.931 . . . . 0.0 109.66 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.19 155.88 22.26 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.326 -0.234 . . . . 0.0 110.819 -176.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.99 130.33 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -155.41 174.63 14.97 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.474 0.709 . . . . 0.0 109.511 177.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -73.56 164.04 27.2 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -60.88 -27.41 68.12 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.391 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -65.89 -38.26 88.29 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.976 0.511 . . . . 0.0 111.1 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -91.69 -29.36 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 122.19 0.196 . . . . 0.0 110.81 -173.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 84.9 t80 . . . . . 0 N--CA 1.454 -0.238 0 C-N-CA 123.521 0.728 . . . . 0.0 111.622 -178.712 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.423 ' C ' HD12 ' C' ' 3' ' ' ILE . 5.2 mt -134.51 151.92 51.44 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.423 HD12 ' C ' ' C' ' 2' ' ' LEU . 4.5 mp -133.27 148.17 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -145.39 166.19 26.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.917 0.887 . . . . 0.0 110.082 -175.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.72 94.5 2.84 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.12 174.35 5.91 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 124.425 1.09 . . . . 0.0 109.431 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -131.53 171.2 13.7 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 118.535 0.607 . . . . 0.0 111.312 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.442 ' HA ' HG13 ' C' ' 22' ' ' ILE . 6.1 m -57.71 131.73 21.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.658 -171.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.98 0.71 58.65 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.392 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -104.98 178.37 4.58 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.091 0.946 . . . . 0.0 110.686 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 44.4 m -143.87 167.62 21.88 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -173.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 43.4 mt -143.37 165.16 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 125.809 1.643 . . . . 0.0 106.975 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -141.59 155.37 45.76 Favored 'General case' 0 N--CA 1.458 -0.075 0 O-C-N 121.443 -0.786 . . . . 0.0 112.241 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 52.7 mt -140.83 148.28 21.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 C-N-CA 124.176 0.99 . . . . 0.0 108.44 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.13 -138.78 38.64 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -129.94 10.41 5.47 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.575 0.75 . . . . 0.0 109.847 176.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -142.25 10.67 1.92 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.318 0.647 . . . . 0.0 112.016 -176.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -127.75 145.98 34.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 118.681 0.673 . . . . 0.0 110.353 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 46.3 m -140.05 155.16 47.18 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.5 mm -135.06 145.39 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 15.0 m -139.96 146.07 38.67 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.442 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.2 tp -105.65 95.69 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.32 -24.93 62.21 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -172.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.428 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.39 -173.98 35.52 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 118.057 0.39 . . . . 0.0 113.153 176.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -136.51 160.99 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 117.064 0.432 . . . . 0.0 111.714 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -150.21 89.03 1.55 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.603 1.161 . . . . 0.0 108.813 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.91 -102.4 1.54 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -106.64 -19.85 13.54 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 117.577 0.689 . . . . 0.0 109.289 172.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -68.26 149.03 49.97 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 53.0 t -138.27 116.67 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -77.79 121.07 23.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 mt -128.49 154.96 39.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.99 157.72 22.78 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.4 142.92 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -140.0 107.27 5.51 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -177.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.4 156.99 42.54 Favored Pre-proline 0 N--CA 1.452 -0.348 0 C-N-CA 123.421 0.688 . . . . 0.0 109.858 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.56 158.21 51.1 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 123.277 2.651 . . . . 0.0 110.799 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -72.45 -0.65 13.15 Favored 'General case' 0 CA--C 1.527 0.081 0 CA-C-O 120.981 0.419 . . . . 0.0 110.406 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.4 -7.26 48.82 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.539 1.136 . . . . 0.0 111.218 173.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -136.77 168.58 21.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 123.653 0.781 . . . . 0.0 109.177 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.03 156.83 20.7 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.822 0.344 . . . . 0.0 111.391 -175.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -156.06 125.04 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -151.05 171.0 18.02 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' C' ' 44' ' ' ARG . 36.9 mtp-105 -71.33 160.94 31.89 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.259 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -61.75 -19.56 62.59 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.6 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -75.98 -50.25 15.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.128 0.571 . . . . 0.0 110.817 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.66 -30.23 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 122.807 0.443 . . . . 0.0 110.266 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.5 t80 . . . . . 0 N--CA 1.452 -0.363 0 C-N-CA 122.737 0.415 . . . . 0.0 111.917 -177.602 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mt -140.2 156.16 46.62 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 172.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -136.3 131.79 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 174.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -127.21 158.02 38.24 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 125.173 1.389 . . . . 0.0 108.302 -175.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -141.4 102.72 4.27 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.736 0.303 . . . . 0.0 110.31 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.509 HH22 ' HB ' ' C' ' 30' ' ' VAL . 0.0 OUTLIER -132.6 170.75 14.75 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HE3' ' OE1' ' C' ' 29' ' ' GLN . 7.9 ptpp? -114.5 175.26 5.56 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 -171.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.404 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 14.6 m -58.77 138.63 19.58 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 CA-C-O 121.034 0.445 . . . . 0.0 111.54 -174.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.46 -12.3 67.91 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.472 -0.627 . . . . 0.0 112.609 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -85.67 -178.83 6.74 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.116 0.958 . . . . 0.0 111.446 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -145.58 165.26 29.17 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.207 0.603 . . . . 0.0 111.584 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.9 mt -143.85 164.28 14.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -137.92 155.68 48.66 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 119.381 0.991 . . . . 0.0 112.562 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.7 mt -141.92 147.66 21.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 C-N-CA 124.054 0.942 . . . . 0.0 108.517 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.91 -140.88 33.9 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -129.21 10.4 5.8 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.739 0.815 . . . . 0.0 109.767 176.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -142.04 10.78 1.97 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.428 0.691 . . . . 0.0 111.616 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -129.1 144.31 38.57 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 CA-C-N 118.707 0.685 . . . . 0.0 110.894 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.0 m -140.85 155.23 46.38 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.2 mm -132.35 145.56 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 m -141.75 147.68 37.75 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.41 HG21 ' HE ' ' A' ' 6' ' ' ARG . 1.6 tp -105.54 108.09 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mt -75.28 -24.87 57.61 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.685 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.404 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 150.64 -169.83 30.5 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 174.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 m -135.57 163.86 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 117.48 0.64 . . . . 0.0 111.596 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -151.1 103.04 3.0 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.184 0.994 . . . . 0.0 108.671 175.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.87 -102.62 1.0 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -111.03 -14.69 13.88 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -70.45 148.74 47.96 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.5 t -136.73 109.77 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -83.99 128.21 34.4 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -130.02 155.31 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -170.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.2 153.09 19.33 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 176.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.1 mt -140.55 145.55 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -175.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -139.94 106.62 5.36 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -176.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.75 155.53 41.26 Favored Pre-proline 0 N--CA 1.452 -0.363 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.661 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.05 158.74 46.12 Favored 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 123.49 2.793 . . . . 0.0 111.213 176.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -72.33 -1.56 15.9 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.899 0.381 . . . . 0.0 110.749 175.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -72.21 -7.09 47.35 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.63 1.172 . . . . 0.0 110.818 174.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -138.39 168.36 19.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.46 157.75 20.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.574 0.225 . . . . 0.0 111.222 -175.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -155.79 125.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 123.07 0.548 . . . . 0.0 109.605 177.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -156.19 172.02 19.17 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.613 0.765 . . . . 0.0 109.442 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.408 HH22 ' HB2' ' C' ' 4' ' ' LEU . 8.9 ptp180 -78.07 166.66 22.53 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 175.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -61.15 -21.19 63.54 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -73.49 -47.55 40.3 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.816 -0.552 . . . . 0.0 110.518 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -76.15 -26.8 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 . . . . . 0 N--CA 1.452 -0.345 0 O-C-N 122.274 -0.266 . . . . 0.0 111.608 -178.647 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.8 tpt . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.424 ' C ' HD12 ' C' ' 3' ' ' ILE . 2.6 mt -140.03 150.62 44.62 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 174.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.424 HD12 ' C ' ' C' ' 2' ' ' LEU . 4.5 mp -138.49 133.47 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.408 ' HB2' HH22 ' A' ' 44' ' ' ARG . 1.2 pp -163.14 165.56 24.43 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.9 m -115.71 151.52 34.95 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.289 0.566 . . . . 0.0 110.571 -173.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -144.89 162.37 37.02 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.125 1.37 . . . . 0.0 107.431 -176.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -128.8 168.04 16.46 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 119.743 1.156 . . . . 0.0 110.335 169.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.448 ' HA ' HG13 ' C' ' 22' ' ' ILE . 7.8 m -56.82 134.44 21.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.988 -171.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.41 -0.63 63.7 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.395 -0.669 . . . . 0.0 112.83 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -106.38 -178.91 3.79 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.272 1.036 . . . . 0.0 110.378 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 39.9 m -143.09 167.8 21.24 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -173.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mm -141.31 165.7 18.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 126.631 1.972 . . . . 0.0 106.958 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -139.56 153.95 47.53 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.551 0.614 . . . . 0.0 112.163 -176.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 53.7 mt -141.14 147.36 22.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 123.961 0.904 . . . . 0.0 108.829 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.03 -141.17 37.56 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -129.2 10.46 5.81 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.154 0.582 . . . . 0.0 109.607 176.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -141.9 11.31 2.01 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.398 0.679 . . . . 0.0 111.737 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.49 145.93 34.97 Favored 'Isoleucine or valine' 0 C--N 1.342 0.245 0 CA-C-N 118.667 0.667 . . . . 0.0 110.634 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 56.6 m -141.25 155.67 45.99 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.604 0.762 . . . . 0.0 109.112 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -135.03 143.34 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 32.8 m -142.9 121.76 12.72 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.448 HG13 ' HA ' ' C' ' 8' ' ' VAL . 2.0 tp -79.92 100.52 4.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mt -69.94 -30.85 68.33 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.187 -0.321 . . . . 0.0 111.447 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.421 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.69 -172.53 35.57 Favored Glycine 0 C--N 1.341 0.817 0 C-N-CA 121.61 -0.329 . . . . 0.0 112.748 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -132.66 164.16 35.85 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-O 121.06 0.457 . . . . 0.0 111.624 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 46.2 t -152.35 92.13 1.66 Allowed 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 124.062 0.945 . . . . 0.0 109.195 176.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.29 -102.01 1.79 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 -178.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -112.61 -16.17 12.88 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 172.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.426 ' OE1' ' HE3' ' A' ' 7' ' ' LYS . 3.3 mp0 -67.53 148.39 51.53 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.509 ' HB ' HH22 ' A' ' 6' ' ' ARG . 63.1 t -138.39 113.37 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -87.29 128.75 35.17 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -133.02 153.52 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -175.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.3 156.72 15.53 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 56.3 mt -140.69 142.98 29.61 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -140.33 107.37 5.45 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.34 156.62 42.74 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 123.601 0.76 . . . . 0.0 109.959 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.27 158.8 50.43 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 123.378 2.719 . . . . 0.0 111.137 175.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 38' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' C' ' 38' ' ' LYS . 10.0 mmmm -73.19 -0.88 15.54 Favored 'General case' 0 C--N 1.339 0.112 0 O-C-N 122.172 -0.33 . . . . 0.0 110.877 174.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.2 -6.72 41.71 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.005 0.922 . . . . 0.0 110.705 172.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -138.92 168.5 19.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 123.974 0.909 . . . . 0.0 108.892 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.23 158.5 18.89 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 111.149 -176.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -158.69 128.87 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -154.87 170.73 20.99 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.718 0.407 . . . . 0.0 110.055 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 26.1 ttp-105 -73.34 158.34 35.27 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 173.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -57.99 -24.7 59.24 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.17 0.441 . . . . 0.0 110.415 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.08 -35.23 74.04 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.501 0.72 . . . . 0.0 111.457 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -91.28 -30.42 4.81 Favored 'Isoleucine or valine' 0 C--N 1.338 0.096 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.8 t80 . . . . . 0 N--CA 1.454 -0.262 0 C-N-CA 122.877 0.471 . . . . 0.0 111.492 -177.671 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mt -138.81 152.54 47.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -135.7 148.68 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -148.17 169.7 19.45 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.622 0.769 . . . . 0.0 110.17 -175.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -133.63 97.86 4.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 172.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -101.99 163.15 12.4 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 125.088 1.355 . . . . 0.0 108.031 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -129.13 167.53 17.44 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 118.877 0.762 . . . . 0.0 110.885 173.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.463 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 5.8 m -56.11 131.99 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.298 -170.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.95 -4.14 57.43 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.498 177.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -105.55 -179.1 3.84 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.326 1.063 . . . . 0.0 111.108 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 m -141.96 168.48 19.64 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mm -141.39 163.44 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 126.978 2.111 . . . . 0.0 107.129 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -137.8 153.99 49.6 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.73 -0.606 . . . . 0.0 112.205 -175.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.7 mt -141.26 148.29 21.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 123.725 0.81 . . . . 0.0 109.094 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.79 -138.27 38.23 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -129.89 10.5 5.5 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.45 0.7 . . . . 0.0 109.978 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -143.37 11.06 1.7 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.13 0.572 . . . . 0.0 111.83 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.85 145.16 36.1 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 CA-C-N 118.943 0.792 . . . . 0.0 110.834 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 m -141.31 155.78 45.93 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.4 mm -134.63 146.78 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -140.81 145.49 36.36 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.445 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.6 tp -106.11 94.35 3.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -67.46 -27.67 67.23 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -173.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.63 -173.31 35.63 Favored Glycine 0 C--N 1.34 0.778 0 CA-C-N 118.435 0.561 . . . . 0.0 112.742 177.204 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -136.37 163.3 34.06 Favored 'Isoleucine or valine' 0 C--N 1.34 0.164 0 CA-C-N 117.042 0.421 . . . . 0.0 111.421 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.3 t -152.81 89.57 1.4 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.968 0.907 . . . . 0.0 108.945 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.51 -102.08 1.58 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.076 -1.209 . . . . 0.0 110.076 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -106.85 -16.78 14.38 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 173.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -69.47 148.19 49.87 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.0 t -139.74 114.68 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 ttt-85 -85.72 127.92 34.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -134.02 154.9 38.84 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -170.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.96 156.54 21.22 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.9 mt -140.54 142.23 31.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -140.37 106.05 5.13 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.75 158.0 40.21 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.693 0.797 . . . . 0.0 109.887 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -65.03 159.87 44.4 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 123.154 2.57 . . . . 0.0 110.992 175.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -71.44 -1.59 13.69 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.187 0.518 . . . . 0.0 109.652 173.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.04 -12.37 54.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.087 1.355 . . . . 0.0 110.759 173.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 m -135.96 168.33 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 123.995 0.918 . . . . 0.0 108.767 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.92 157.93 20.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 120.634 0.254 . . . . 0.0 110.375 -176.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.61 125.77 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 177.082 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -154.02 171.3 19.28 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 122.811 0.444 . . . . 0.0 110.343 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -69.72 157.04 38.04 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 175.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -57.93 -27.86 63.75 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.187 -0.321 . . . . 0.0 110.388 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -63.88 -50.31 69.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.002 0.521 . . . . 0.0 110.314 176.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.3 mm -76.37 -29.29 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.624 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 N--CA 1.454 -0.247 0 C-N-CA 123.012 0.525 . . . . 0.0 111.505 -178.927 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.6 tpt . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 119.549 -0.262 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mt -134.45 153.72 51.77 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.21 152.2 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.0 mt -145.13 165.66 27.65 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.981 0.912 . . . . 0.0 109.65 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.29 100.2 4.06 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 170.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.697 HH21 HG22 ' C' ' 22' ' ' ILE . 9.6 ttp180 -116.16 176.57 5.04 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.339 1.055 . . . . 0.0 109.898 -174.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -131.8 170.48 14.78 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 118.27 0.486 . . . . 0.0 112.228 176.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.431 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.7 m -56.23 129.95 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.757 -173.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.92 -19.47 35.34 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.241 -0.755 . . . . 0.0 113.498 177.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.71 177.54 7.0 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.7 1.25 . . . . 0.0 111.835 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -142.61 163.95 31.43 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.745 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 39.5 mm -139.71 167.29 19.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 126.051 1.74 . . . . 0.0 107.447 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -136.04 153.7 51.27 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.272 0.487 . . . . 0.0 111.91 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 51.2 mt -140.1 154.17 23.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 C-N-CA 124.274 1.03 . . . . 0.0 108.673 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.66 -140.28 41.06 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -129.74 10.22 5.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.635 0.774 . . . . 0.0 109.296 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -146.81 13.64 1.16 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.367 0.667 . . . . 0.0 111.885 -176.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -127.03 148.41 31.85 Favored 'Isoleucine or valine' 0 C--N 1.343 0.303 0 CA-C-N 119.085 0.857 . . . . 0.0 110.804 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.0 m -141.07 154.75 46.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -133.71 146.38 31.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -141.86 148.18 38.36 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.697 HG22 HH21 ' C' ' 6' ' ' ARG . 2.2 tp -106.73 94.57 3.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 mt -66.51 -28.21 68.38 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.121 -0.362 . . . . 0.0 111.7 -173.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.431 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.26 -173.11 35.39 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 118.096 0.407 . . . . 0.0 112.33 175.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.44 159.57 38.03 Favored 'Isoleucine or valine' 0 C--N 1.34 0.178 0 CA-C-N 117.276 0.538 . . . . 0.0 111.216 178.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 55.7 m -150.92 90.66 1.64 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 124.479 1.111 . . . . 0.0 108.664 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.25 -109.26 2.73 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -177.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -103.03 -16.95 15.64 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.98 145.15 53.84 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 81.9 t -137.38 114.26 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -85.46 125.27 32.9 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -129.83 152.95 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 123.344 0.402 . . . . 0.0 109.943 -171.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.16 154.41 18.9 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 109.999 -1.241 . . . . 0.0 109.999 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -140.32 139.82 35.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -137.98 105.99 5.7 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.17 155.95 50.58 Favored Pre-proline 0 N--CA 1.448 -0.54 0 C-N-CA 123.733 0.813 . . . . 0.0 108.868 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -62.02 153.98 65.15 Favored 'Trans proline' 0 N--CA 1.445 -1.37 0 C-N-CA 122.278 1.985 . . . . 0.0 110.105 178.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -66.03 -4.61 7.53 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.744 0.307 . . . . 0.0 110.308 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -74.19 -7.29 52.15 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 125.88 1.672 . . . . 0.0 112.7 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 24.8 m -132.98 168.41 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.75 154.69 19.67 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 120.975 0.417 . . . . 0.0 111.624 -175.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -157.88 127.51 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.165 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -153.63 172.86 16.57 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.72 0.408 . . . . 0.0 109.913 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 mtp-105 -72.0 158.9 35.14 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -59.01 -27.1 65.12 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.127 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -66.43 -38.03 86.51 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.152 0.581 . . . . 0.0 111.469 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.9 mm -90.95 -27.99 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-O 120.613 0.244 . . . . 0.0 110.775 -172.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.2 t80 . . . . . 0 N--CA 1.452 -0.349 0 C-N-CA 123.446 0.699 . . . . 0.0 111.409 -179.553 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 tpt . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.424 ' C ' HD12 ' A' ' 3' ' ' ILE . 5.4 mt -140.51 152.73 45.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 176.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.424 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.3 mp -135.39 146.54 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 176.286 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.6 mt -147.32 168.47 21.7 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.881 0.872 . . . . 0.0 109.671 -176.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -130.86 97.24 4.28 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 173.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -103.8 157.33 17.15 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.921 1.689 . . . . 0.0 108.175 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -118.94 170.8 8.72 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 119.678 1.126 . . . . 0.0 111.379 173.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.457 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 12.1 m -57.48 135.6 21.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.93 -173.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.34 -0.6 66.13 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.303 176.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -105.77 -178.36 3.63 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 117.877 0.838 . . . . 0.0 110.385 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.5 m -141.35 168.38 19.92 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -173.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 mm -140.98 166.05 18.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 126.458 1.903 . . . . 0.0 107.032 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -140.66 153.98 46.22 Favored 'General case' 0 N--CA 1.458 -0.075 0 O-C-N 121.315 -0.866 . . . . 0.0 111.652 -174.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.2 mt -141.72 147.78 21.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 C-N-CA 123.853 0.861 . . . . 0.0 109.02 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.88 -139.72 27.8 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -178.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -130.09 11.0 5.47 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.285 0.634 . . . . 0.0 110.244 176.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -138.97 10.21 2.6 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.395 0.678 . . . . 0.0 111.774 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.19 145.14 36.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.158 0 CA-C-N 118.841 0.746 . . . . 0.0 110.683 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.9 m -141.38 156.23 45.84 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.8 mm -135.31 148.79 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -139.21 155.55 47.72 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -178.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.418 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 tp -121.3 86.97 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 mt -63.8 -28.46 69.88 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.941 -0.475 . . . . 0.0 112.001 -171.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.457 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.39 -174.09 38.76 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-N 118.434 0.561 . . . . 0.0 113.119 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.92 163.95 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 121.1 0.476 . . . . 0.0 111.396 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.1 t -151.42 89.65 1.51 Allowed 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 123.954 0.902 . . . . 0.0 108.886 175.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.33 -102.57 1.38 Allowed Glycine 0 CA--C 1.528 0.847 0 N-CA-C 109.744 -1.343 . . . . 0.0 109.744 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -106.33 -17.0 14.42 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 117.305 0.552 . . . . 0.0 109.629 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -70.34 147.7 49.3 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.6 t -136.61 119.73 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.17 118.32 26.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.413 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -125.83 151.24 31.79 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.14 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -171.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.61 155.78 19.09 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.6 mt -142.04 143.26 26.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -176.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -140.33 107.36 5.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.83 156.35 41.08 Favored Pre-proline 0 N--CA 1.451 -0.394 0 C-N-CA 123.545 0.738 . . . . 0.0 110.135 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.27 159.1 48.83 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 123.652 2.902 . . . . 0.0 111.324 175.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -73.25 -0.75 15.32 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.696 0.284 . . . . 0.0 110.475 174.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -71.16 -6.33 38.6 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.889 0.876 . . . . 0.0 110.717 172.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m -138.95 168.25 19.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 C-N-CA 123.864 0.865 . . . . 0.0 109.087 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.61 158.66 18.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.823 0.344 . . . . 0.0 111.061 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.401 HG13 HD12 ' C' ' 2' ' ' LEU . 0.8 OUTLIER -158.43 131.88 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 174.762 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -153.6 170.78 19.99 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -65.47 152.09 44.8 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 171.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -64.75 -10.32 26.69 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.616 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -74.94 -48.01 26.67 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.079 0.551 . . . . 0.0 109.852 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.27 -29.7 28.78 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 C-N-CA 123.153 0.581 . . . . 0.0 110.36 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.4 t80 . . . . . 0 N--CA 1.451 -0.412 0 O-C-N 122.203 -0.311 . . . . 0.0 111.443 -178.721 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpt . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 119.579 -0.248 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.401 HD12 HG13 ' A' ' 42' ' ' VAL . 5.8 mt -140.38 152.88 46.11 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.167 0.439 . . . . 0.0 110.16 176.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -136.79 148.12 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -146.2 165.64 28.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.818 0.847 . . . . 0.0 110.148 -175.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -135.15 96.37 3.48 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 121.235 0.541 . . . . 0.0 109.595 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.08 -178.84 3.87 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 124.231 1.013 . . . . 0.0 108.876 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -133.28 173.35 11.55 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 172.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.438 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 9.4 m -60.89 132.9 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-O 121.177 0.513 . . . . 0.0 111.25 -174.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.56 -8.97 62.31 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.947 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -87.5 178.56 6.77 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 118.014 0.907 . . . . 0.0 111.336 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.5 m -145.43 168.72 19.87 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.085 0.554 . . . . 0.0 111.901 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 34.9 mt -146.48 164.3 8.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 125.804 1.642 . . . . 0.0 107.042 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -133.94 153.75 51.55 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.319 0.963 . . . . 0.0 111.929 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 45.3 mt -142.07 141.42 28.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 177.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.36 -139.37 38.45 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -175.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -131.3 10.5 4.88 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.033 0.533 . . . . 0.0 109.705 175.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -138.28 9.57 2.73 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.31 0.644 . . . . 0.0 111.692 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.37 141.35 46.14 Favored 'Isoleucine or valine' 0 C--N 1.337 0.053 0 CA-C-N 118.633 0.651 . . . . 0.0 109.752 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -137.46 157.12 47.26 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -133.07 147.81 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -143.61 144.2 31.81 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.407 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.6 tp -106.06 100.63 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 177.317 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.71 -28.87 63.99 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 122.01 -0.431 . . . . 0.0 111.312 -174.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.438 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.77 -174.15 37.38 Favored Glycine 0 C--N 1.339 0.73 0 CA-C-N 118.286 0.494 . . . . 0.0 113.178 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.31 162.59 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-O 121.023 0.44 . . . . 0.0 111.694 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -150.91 89.26 1.52 Allowed 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.04 -102.49 1.24 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -107.55 -18.98 13.7 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 117.392 0.596 . . . . 0.0 109.821 175.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -69.72 147.9 49.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 176.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -138.34 116.44 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -80.17 115.87 19.97 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -123.6 151.21 28.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -175.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 154.54 19.32 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.2 mt -140.33 137.74 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -175.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -133.42 98.52 4.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -174.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.68 153.32 61.45 Favored Pre-proline 0 N--CA 1.452 -0.352 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.82 151.88 81.75 Favored 'Trans proline' 0 N--CA 1.444 -1.402 0 C-N-CA 122.473 2.115 . . . . 0.0 109.771 176.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -63.7 -8.48 10.4 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-O 121.461 0.648 . . . . 0.0 110.846 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.62 -8.99 16.38 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 125.483 1.513 . . . . 0.0 112.164 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -134.29 168.03 24.73 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.89 154.52 19.54 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.71 -0.396 . . . . 0.0 112.005 -174.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -160.36 130.58 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.16 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -157.07 171.87 19.69 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 124.336 1.054 . . . . 0.0 108.886 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -82.17 164.19 21.43 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 171.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -22.18 48.98 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -174.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -65.31 -43.23 91.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 119.034 0.834 . . . . 0.0 109.998 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.01 -28.79 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 57.9 t80 . . . . . 0 N--CA 1.451 -0.375 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.973 179.878 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mt -140.13 156.3 46.61 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 174.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -132.54 147.54 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.4 HD13 HD12 ' A' ' 12' ' ' ILE . 95.7 mt -148.66 166.71 27.51 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.896 0.879 . . . . 0.0 110.479 -175.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -136.89 102.57 4.91 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.198 0.523 . . . . 0.0 109.836 171.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.456 ' HD2' HD11 ' A' ' 12' ' ' ILE . 6.8 mmp_? -105.15 163.61 12.45 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 124.412 1.085 . . . . 0.0 110.246 178.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HE3' ' HB2' ' C' ' 28' ' ' GLN . 59.1 mtpt -118.69 167.43 11.67 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.41 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 11.3 m -62.36 129.19 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.368 -173.045 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.32 0.38 50.57 Favored Glycine 0 CA--C 1.53 0.98 0 CA-C-O 119.255 -0.747 . . . . 0.0 112.659 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -105.3 177.59 4.81 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.452 1.126 . . . . 0.0 110.859 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -143.48 166.79 23.81 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -173.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.456 HD11 ' HD2' ' A' ' 6' ' ' ARG . 42.6 mm -143.19 167.25 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 126.955 2.102 . . . . 0.0 106.931 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -139.04 157.11 46.58 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.322 -0.861 . . . . 0.0 112.536 -176.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.9 mt -141.24 148.04 21.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 124.176 0.99 . . . . 0.0 108.873 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.77 -140.28 30.58 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -128.58 10.35 6.11 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.526 0.73 . . . . 0.0 110.029 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -142.28 11.4 1.94 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.083 0.553 . . . . 0.0 111.516 -178.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.76 146.47 34.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 119.05 0.841 . . . . 0.0 110.789 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.8 m -140.82 157.51 45.28 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -135.52 146.44 29.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.7 m -142.57 146.51 34.67 Favored 'General case' 0 C--O 1.227 -0.112 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.75 95.11 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 178.182 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.11 -26.28 66.62 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.64 0.376 . . . . 0.0 111.975 -173.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.41 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 156.43 -172.31 34.19 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 118.112 0.415 . . . . 0.0 112.55 176.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 m -134.77 162.54 38.52 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 117.303 0.551 . . . . 0.0 111.524 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -150.37 89.55 1.58 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.289 1.035 . . . . 0.0 108.742 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.77 -102.64 1.33 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -107.42 -18.27 13.9 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 117.41 0.605 . . . . 0.0 109.796 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -68.11 147.74 51.9 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 175.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -136.24 116.41 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -86.17 127.15 34.67 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -132.22 155.01 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -170.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.15 154.45 20.57 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.5 mt -140.41 135.17 35.6 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -131.99 98.29 4.4 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.216 0.531 . . . . 0.0 109.942 -173.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.46 153.25 55.15 Favored Pre-proline 0 N--CA 1.447 -0.604 0 C-N-CA 124.398 1.079 . . . . 0.0 108.133 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.23 152.89 73.54 Favored 'Trans proline' 0 N--CA 1.443 -1.463 0 C-N-CA 122.076 1.85 . . . . 0.0 109.452 176.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -2.99 2.67 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 121.821 0.82 . . . . 0.0 110.568 175.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.39 -12.55 31.47 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 126.284 1.833 . . . . 0.0 111.897 173.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 m -132.86 166.77 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.759 0.824 . . . . 0.0 108.808 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.68 152.19 20.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.886 0.374 . . . . 0.0 111.043 -177.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -159.83 130.26 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 122.905 0.482 . . . . 0.0 109.809 173.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -155.87 172.11 18.92 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.84 0.856 . . . . 0.0 109.395 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -79.02 166.37 22.41 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 170.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -20.89 60.24 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -176.229 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -68.25 -48.44 65.09 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 118.477 0.581 . . . . 0.0 109.875 -178.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.14 -28.56 20.82 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -177.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.3 t80 . . . . . 0 N--CA 1.451 -0.421 0 O-C-N 122.359 -0.213 . . . . 0.0 111.065 -179.2 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' C' ' 2' ' ' LEU . 4.6 mt -140.26 152.92 46.31 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.402 HD12 ' C ' ' C' ' 2' ' ' LEU . 4.0 mp -128.88 140.07 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -132.61 163.37 29.05 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.261 1.424 . . . . 0.0 109.098 -173.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.88 110.34 7.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 169.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -125.41 151.02 46.72 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 124.402 1.081 . . . . 0.0 109.297 -172.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -114.0 168.8 9.5 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 119.385 0.993 . . . . 0.0 111.417 176.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.459 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 9.1 m -57.29 132.48 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.011 -172.357 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.22 1.1 61.15 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.428 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -110.32 -178.73 3.58 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 117.767 0.783 . . . . 0.0 110.223 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 43.8 m -143.28 168.7 19.17 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -170.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 58.7 mt -142.28 164.6 17.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 125.899 1.68 . . . . 0.0 106.61 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -140.67 153.73 46.1 Favored 'General case' 0 C--O 1.23 0.05 0 O-C-N 121.064 -1.023 . . . . 0.0 112.335 -173.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mt -141.26 150.46 19.98 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 C-N-CA 123.692 0.797 . . . . 0.0 109.096 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.03 -139.56 33.03 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -129.73 10.57 5.58 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.284 0.633 . . . . 0.0 109.738 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -143.2 11.34 1.75 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.435 0.694 . . . . 0.0 111.426 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.3 143.7 40.38 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 CA-C-N 118.929 0.786 . . . . 0.0 110.922 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -140.87 157.59 45.16 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -133.46 146.18 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.2 m -138.56 143.78 39.58 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.403 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.0 OUTLIER -105.46 91.36 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.783 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.63 -31.73 72.63 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.853 -173.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.459 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 162.19 -173.15 38.46 Favored Glycine 0 C--N 1.337 0.602 0 O-C-N 122.124 -0.36 . . . . 0.0 112.335 178.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -134.45 163.29 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-O 121.054 0.454 . . . . 0.0 110.998 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -150.93 89.57 1.54 Allowed 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 176.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.47 -102.5 1.29 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 28' ' ' GLN . . . . . 0.46 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 72.4 mm-40 -105.62 -18.31 14.12 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 117.022 0.411 . . . . 0.0 110.179 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -71.17 147.08 48.68 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 96.5 t -135.7 114.36 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 ttt-85 -88.11 126.44 35.12 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -130.12 155.23 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 -169.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.09 156.23 20.66 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 76.9 mt -140.21 134.71 36.09 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -131.97 98.67 4.5 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.191 0.52 . . . . 0.0 109.597 -173.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.42 153.28 55.34 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.214 176.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -62.97 152.33 79.87 Favored 'Trans proline' 0 N--CA 1.442 -1.508 0 C-N-CA 122.269 1.979 . . . . 0.0 108.908 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -3.28 2.75 Favored 'General case' 0 N--CA 1.46 0.047 0 CA-C-O 121.681 0.753 . . . . 0.0 110.619 175.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.09 -11.55 30.94 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 126.092 1.757 . . . . 0.0 112.332 173.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 m -133.37 167.92 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.086 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.28 152.38 20.75 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 122.313 -0.242 . . . . 0.0 111.428 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -159.65 127.03 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.23 0.039 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.001 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -154.08 171.52 18.97 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.651 0.381 . . . . 0.0 110.446 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.436 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 79.3 ttt180 -67.89 154.58 41.27 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 174.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -59.32 -21.09 59.21 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.934 0.397 . . . . 0.0 110.686 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 46' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 20.6 tp10 -68.64 -48.5 63.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.296 0.638 . . . . 0.0 110.608 177.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -77.24 -25.86 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-O 120.856 0.36 . . . . 0.0 110.391 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.1 t80 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 123.541 0.737 . . . . 0.0 112.005 -178.359 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.63 156.43 46.94 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -131.92 148.37 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.1 mt -142.67 165.22 27.99 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.682 0.793 . . . . 0.0 109.947 -176.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.52 95.92 2.95 Favored 'General case' 0 C--N 1.337 0.051 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 173.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -104.62 178.24 4.62 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.321 1.049 . . . . 0.0 109.038 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HE2' ' OE1' ' C' ' 29' ' ' GLN . 18.5 ptpt -133.15 172.97 11.94 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 118.476 0.58 . . . . 0.0 110.368 171.41 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.458 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.7 m -58.66 132.93 23.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -171.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.51 -9.0 58.77 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.576 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -92.77 179.03 5.6 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.226 1.013 . . . . 0.0 111.23 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.8 m -142.88 168.03 20.66 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.133 0.492 . . . . 0.0 112.018 -174.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mt -145.34 167.32 9.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 125.699 1.6 . . . . 0.0 107.241 -177.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -140.89 154.78 46.29 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 121.441 -0.787 . . . . 0.0 112.663 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.9 mt -140.67 150.4 20.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 124.261 1.024 . . . . 0.0 108.914 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.3 -140.47 36.13 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -129.08 10.51 5.87 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.388 0.675 . . . . 0.0 109.572 177.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -143.92 11.95 1.62 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.553 0.741 . . . . 0.0 111.98 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -127.99 146.29 33.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 CA-C-N 119.19 0.905 . . . . 0.0 110.6 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 42.9 m -138.37 154.75 48.94 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.977 0.911 . . . . 0.0 108.588 177.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -135.19 147.76 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.2 m -141.22 147.15 37.85 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -105.17 94.54 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.57 -27.37 67.67 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.877 -172.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.458 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.56 -171.72 35.36 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.8 m -127.36 162.56 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 CA-C-O 120.957 0.408 . . . . 0.0 110.933 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.5 t -150.43 75.91 1.24 Allowed 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 177.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.17 -138.85 33.24 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.242 -1.543 . . . . 0.0 109.242 -173.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -68.56 -12.12 60.86 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 117.384 0.592 . . . . 0.0 111.787 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.597 ' CG ' HG22 ' C' ' 5' ' ' THR . 1.2 tp-100 -83.65 152.57 24.7 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.6 t -137.34 129.5 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -93.22 126.55 38.39 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mt -134.23 155.14 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -169.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.14 156.78 21.95 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.9 mt -140.38 142.6 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -140.35 106.44 5.21 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.59 157.74 41.03 Favored Pre-proline 0 C--O 1.233 0.213 0 C-N-CA 123.613 0.765 . . . . 0.0 109.51 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -64.32 158.68 47.53 Favored 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 122.96 2.44 . . . . 0.0 110.638 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -69.31 -0.86 6.85 Favored 'General case' 0 CA--C 1.527 0.072 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 173.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.6 -10.32 55.18 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 125.065 1.346 . . . . 0.0 111.271 174.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 m -137.23 168.07 22.04 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 C-N-CA 123.318 0.647 . . . . 0.0 109.646 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.89 155.41 19.37 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.578 0.227 . . . . 0.0 110.882 -177.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -157.11 126.27 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -153.06 171.88 17.72 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 122.699 0.4 . . . . 0.0 110.158 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.9 mtp-105 -72.11 160.81 31.83 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -61.5 -20.81 63.61 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -73.84 -48.53 30.52 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 122.938 0.495 . . . . 0.0 111.0 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.17 -25.46 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 N--CA 1.448 -0.547 0 O-C-N 122.032 -0.417 . . . . 0.0 111.068 -178.851 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mt -135.06 153.22 52.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.411 ' C ' HD22 ' C' ' 4' ' ' LEU . 4.3 mp -132.94 139.26 49.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.01 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.411 HD22 ' C ' ' C' ' 3' ' ' ILE . 4.6 mm? -132.65 163.54 28.72 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.837 1.255 . . . . 0.0 109.498 -174.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.597 HG22 ' CG ' ' A' ' 29' ' ' GLN . 0.7 OUTLIER -137.12 96.7 3.33 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 172.14 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -109.4 139.04 44.86 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 125.196 1.398 . . . . 0.0 110.598 -171.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -84.61 158.97 20.71 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 110.436 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.406 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 23.9 m -61.22 138.62 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.089 0.471 . . . . 0.0 110.072 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.38 1.24 75.3 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.623 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -106.88 179.15 4.35 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.103 0.952 . . . . 0.0 110.195 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -140.53 168.09 20.63 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -171.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 64.6 mt -143.75 164.64 14.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 126.293 1.837 . . . . 0.0 106.797 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -136.85 154.16 50.58 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 121.378 -0.826 . . . . 0.0 112.357 -175.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.5 mt -139.8 149.88 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.88 -140.06 35.32 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -129.23 10.48 5.8 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 123.677 0.791 . . . . 0.0 109.719 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -145.12 12.83 1.41 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.564 0.746 . . . . 0.0 111.862 -175.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.59 145.83 34.94 Favored 'Isoleucine or valine' 0 C--N 1.342 0.28 0 CA-C-N 118.7 0.682 . . . . 0.0 110.439 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 58.6 m -140.62 154.45 46.45 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.601 0.76 . . . . 0.0 109.025 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.4 mm -134.07 141.58 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 52.3 m -140.3 121.4 14.73 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.406 HG22 ' H ' ' C' ' 22' ' ' ILE . 1.4 tp -76.56 101.78 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 176.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 22.9 mt -70.79 -27.26 63.78 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 122.119 -0.363 . . . . 0.0 111.837 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.406 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 155.89 -170.89 33.75 Favored Glycine 0 C--N 1.338 0.675 0 CA-C-N 118.274 0.488 . . . . 0.0 112.814 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.02 160.72 41.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 121.304 0.573 . . . . 0.0 111.084 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -150.4 89.38 1.57 Allowed 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.96 -102.84 1.6 Allowed Glycine 0 C--N 1.337 0.585 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -106.63 -16.62 14.46 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 174.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.429 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 2.8 mp0 -67.65 152.5 45.52 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -140.54 110.25 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 N-CA-C 105.147 -2.168 . . . . 0.0 105.147 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -84.86 132.62 34.37 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -135.47 154.12 34.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -170.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.72 152.16 19.22 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.3 mt -140.14 145.53 26.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -140.66 107.14 5.29 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.85 155.76 44.39 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 123.265 0.626 . . . . 0.0 110.477 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.95 157.22 53.94 Favored 'Trans proline' 0 N--CA 1.45 -1.088 0 C-N-CA 123.586 2.857 . . . . 0.0 111.236 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -71.81 -1.44 14.12 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 120.917 0.389 . . . . 0.0 110.615 176.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -71.18 -7.32 45.95 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.269 1.028 . . . . 0.0 110.524 172.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.19 169.6 17.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 124.048 0.939 . . . . 0.0 109.112 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.95 159.5 19.03 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 122.258 -0.276 . . . . 0.0 111.038 -176.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 p -156.41 122.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 123.468 0.707 . . . . 0.0 109.275 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -153.32 176.74 11.64 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 122.803 0.441 . . . . 0.0 110.073 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 161.23 29.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 175.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -60.35 -24.32 64.97 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 120.712 0.291 . . . . 0.0 110.862 -177.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -67.99 -48.01 66.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.159 0.584 . . . . 0.0 110.919 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm -77.45 -24.49 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 CA-C-O 120.668 0.27 . . . . 0.0 110.918 -173.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.8 t80 . . . . . 0 N--CA 1.451 -0.401 0 C-N-CA 122.994 0.517 . . . . 0.0 111.696 -178.796 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 tpt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 2' ' ' LEU . 5.4 mt -140.26 155.52 46.84 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 173.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -134.62 135.26 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -133.25 162.2 32.43 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.374 1.07 . . . . 0.0 109.803 -170.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -135.66 127.08 28.57 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 169.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.93 178.74 6.55 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 125.304 1.442 . . . . 0.0 107.701 177.036 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -134.89 173.28 11.88 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 118.08 0.4 . . . . 0.0 109.985 170.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.458 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 6.3 m -58.73 124.84 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.215 -172.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.89 1.05 42.3 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.687 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -109.43 -179.26 3.78 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.133 0.966 . . . . 0.0 110.81 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.6 m -145.93 168.16 21.54 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -173.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.7 mt -140.47 164.21 22.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.136 1.775 . . . . 0.0 106.947 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -138.5 154.2 48.8 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 121.394 -0.816 . . . . 0.0 111.908 -174.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -140.63 147.67 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.25 -139.11 34.74 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.319 -1.113 . . . . 0.0 110.319 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -129.56 10.49 5.65 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 123.388 0.675 . . . . 0.0 109.789 176.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -141.77 10.7 2.02 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.549 0.74 . . . . 0.0 111.937 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -128.27 145.26 35.64 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 CA-C-N 118.734 0.697 . . . . 0.0 110.201 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.4 m -141.41 155.32 45.9 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.013 0.925 . . . . 0.0 109.181 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -134.63 145.3 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 m -139.95 146.85 39.69 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.43 HG13 ' HA ' ' A' ' 8' ' ' VAL . 0.9 OUTLIER -105.89 94.37 3.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.093 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.47 -26.08 66.2 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -173.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.458 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.4 -174.32 36.28 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-N 118.387 0.539 . . . . 0.0 112.714 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -138.64 163.77 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 117.37 0.585 . . . . 0.0 111.456 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -151.09 89.69 1.54 Allowed 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.831 0.852 . . . . 0.0 109.014 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.51 -102.48 1.39 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -106.44 -16.53 14.52 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 117.349 0.574 . . . . 0.0 109.841 175.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -68.77 147.09 52.29 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.4 t -138.9 114.33 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -84.16 126.62 33.29 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -132.62 154.97 40.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -171.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.17 154.87 20.76 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 177.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.7 mt -140.16 143.05 30.46 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -140.54 106.49 5.18 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -175.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.26 157.14 42.82 Favored Pre-proline 0 N--CA 1.45 -0.432 0 O-C-N 123.841 0.713 . . . . 0.0 110.16 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.15 159.44 46.83 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 123.561 2.841 . . . . 0.0 111.256 175.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 9.4 mmmm -74.24 -1.02 18.79 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 122.183 -0.323 . . . . 0.0 110.865 175.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.39 -7.48 43.32 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.013 0.925 . . . . 0.0 110.595 172.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.13 168.41 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.23 1.012 . . . . 0.0 108.522 178.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.67 160.64 19.11 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.615 0.245 . . . . 0.0 110.988 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.64 129.84 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -154.52 173.97 15.56 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.073 0.549 . . . . 0.0 109.743 177.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.9 mtm105 -74.32 162.45 28.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 173.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -59.97 -28.18 67.45 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.317 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -65.37 -38.93 91.53 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.035 0.534 . . . . 0.0 111.432 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.6 mm -91.72 -27.43 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 122.365 0.266 . . . . 0.0 110.774 -172.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.2 t80 . . . . . 0 N--CA 1.456 -0.167 0 C-N-CA 122.966 0.506 . . . . 0.0 111.002 -179.901 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mt -137.47 156.12 48.52 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.98 148.32 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -146.2 165.84 27.98 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.05 0.94 . . . . 0.0 109.926 -177.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.48 96.86 3.67 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 171.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.34 162.18 13.91 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 124.877 1.271 . . . . 0.0 109.72 -176.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -121.62 168.2 12.04 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.72 1.145 . . . . 0.0 111.72 174.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.467 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.7 m -57.29 132.39 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.819 -172.639 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.34 1.15 60.93 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.578 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -108.69 179.78 4.09 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 117.634 0.717 . . . . 0.0 110.202 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 39.6 m -141.98 168.24 20.23 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -170.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.4 mt -144.67 166.6 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 126.001 1.72 . . . . 0.0 106.507 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -140.47 155.69 46.6 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 119.011 0.823 . . . . 0.0 112.168 -177.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 46.2 mt -142.22 153.79 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 124.084 0.953 . . . . 0.0 108.895 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.98 -141.33 33.31 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -128.57 10.44 6.13 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.644 0.778 . . . . 0.0 109.398 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -146.52 13.01 1.19 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.659 0.783 . . . . 0.0 111.763 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.05 147.17 32.71 Favored 'Isoleucine or valine' 0 C--N 1.34 0.196 0 CA-C-N 118.946 0.794 . . . . 0.0 110.696 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 57.6 m -139.94 154.3 47.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -134.01 146.79 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.1 m -139.71 146.95 40.23 Favored 'General case' 0 C--O 1.228 -0.039 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.405 HG13 ' HA ' ' C' ' 8' ' ' VAL . 0.8 OUTLIER -106.78 93.69 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.875 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.4 mt -66.38 -30.17 70.5 Favored 'General case' 0 C--N 1.341 0.22 0 O-C-N 122.067 -0.395 . . . . 0.0 111.913 -171.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 161.17 -174.89 37.82 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.798 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -137.68 161.96 32.79 Favored 'Isoleucine or valine' 0 C--N 1.338 0.106 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 45.8 t -153.7 113.99 3.96 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 172.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.13 -104.87 1.19 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -177.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -114.76 -13.29 12.05 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 117.096 0.448 . . . . 0.0 110.116 174.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -70.55 149.45 47.11 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -135.06 114.77 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -83.12 126.18 32.31 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -129.74 155.23 41.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 -173.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.62 153.03 19.77 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.8 mt -140.88 143.32 28.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -175.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -140.16 106.92 5.37 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.04 156.78 43.75 Favored Pre-proline 0 C--O 1.233 0.234 0 C-N-CA 123.533 0.733 . . . . 0.0 109.738 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.78 159.37 45.91 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 123.082 2.521 . . . . 0.0 111.038 176.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -73.01 -0.92 15.19 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-O 120.849 0.356 . . . . 0.0 110.663 175.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -72.52 -5.98 40.72 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.288 1.035 . . . . 0.0 110.671 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -138.48 168.45 19.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 123.671 0.788 . . . . 0.0 109.395 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.49 157.35 19.7 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.729 0.3 . . . . 0.0 111.362 -176.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -156.03 130.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.081 0 C-N-CA 122.742 0.417 . . . . 0.0 109.911 175.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -155.46 170.02 22.9 Favored 'General case' 0 C--N 1.338 0.067 0 C-N-CA 123.603 0.761 . . . . 0.0 109.185 176.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 ptt85 -82.44 164.17 21.15 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 175.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -55.36 -27.0 44.45 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -173.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.75 -38.95 80.47 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 122.117 -0.364 . . . . 0.0 111.856 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 22.4 mm -90.76 -28.87 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 110.67 -0.122 . . . . 0.0 110.67 -172.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 82.0 t80 . . . . . 0 N--CA 1.454 -0.274 0 C-N-CA 122.964 0.506 . . . . 0.0 111.643 -178.538 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 2' ' ' LEU . 5.3 mt -132.03 153.18 50.66 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.4 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.6 mp -135.98 137.59 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.556 HD13 ' C2 ' ' B' ' 38' ' ' ' A' . 4.5 mm? -130.18 159.09 37.89 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.256 1.422 . . . . 0.0 108.054 -178.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -139.02 96.35 3.1 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 172.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.26 162.55 28.72 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.101 0.961 . . . . 0.0 109.583 -176.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -112.16 176.04 5.18 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -169.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.464 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.3 m -57.87 133.11 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 120.979 0.418 . . . . 0.0 111.135 -174.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.97 -16.72 59.11 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.675 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -73.48 171.27 13.47 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 117.886 0.843 . . . . 0.0 111.293 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -142.27 158.11 44.09 Favored 'General case' 0 CA--C 1.526 0.047 0 C-N-CA 122.585 0.354 . . . . 0.0 110.814 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mm -141.78 165.15 18.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 125.606 1.562 . . . . 0.0 106.846 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -139.27 155.3 47.85 Favored 'General case' 0 C--O 1.233 0.192 0 O-C-N 121.611 -0.68 . . . . 0.0 112.495 -174.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mt -139.93 149.92 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 123.998 0.919 . . . . 0.0 108.852 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.84 -142.07 35.22 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -127.87 10.63 6.53 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.767 0.827 . . . . 0.0 109.476 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -143.66 12.06 1.68 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.174 0.589 . . . . 0.0 111.958 -176.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -127.97 146.27 33.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 CA-C-N 119.174 0.897 . . . . 0.0 110.803 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.9 m -139.76 154.13 47.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.798 0.839 . . . . 0.0 108.865 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mm -134.72 144.99 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.8 m -140.16 147.89 40.81 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.409 HG13 ' HA ' ' A' ' 8' ' ' VAL . 2.3 tp -105.38 99.24 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.52 -27.8 65.48 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.221 -173.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.464 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 157.55 -173.52 34.96 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-N 117.969 0.349 . . . . 0.0 113.153 174.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.3 m -134.69 163.3 37.03 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 C-N-CA 122.662 0.385 . . . . 0.0 111.363 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -150.17 89.69 1.61 Allowed 'General case' 0 C--O 1.232 0.173 0 C-N-CA 124.23 1.012 . . . . 0.0 109.16 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.03 -90.28 0.79 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -114.63 -16.85 11.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 173.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -71.45 152.48 43.04 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -143.08 107.94 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -87.33 130.74 34.51 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -131.57 155.72 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.597 -169.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.49 154.72 20.15 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -139.56 145.48 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -176.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -140.26 107.12 5.39 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.32 157.91 38.84 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 123.77 0.828 . . . . 0.0 109.646 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.94 158.18 52.81 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 123.228 2.618 . . . . 0.0 110.844 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -71.82 -2.43 17.68 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.13 0.491 . . . . 0.0 110.549 176.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -72.4 -6.03 40.62 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.202 1.001 . . . . 0.0 111.143 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.6 167.96 20.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 C-N-CA 123.673 0.789 . . . . 0.0 109.176 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.43 157.25 20.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.362 0.125 . . . . 0.0 111.307 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.433 HG13 HD12 ' C' ' 2' ' ' LEU . 0.7 OUTLIER -156.05 125.51 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.283 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -157.51 170.32 22.7 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 124.061 0.945 . . . . 0.0 109.026 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -78.73 165.29 23.77 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 175.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -58.67 -25.82 63.18 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -172.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -65.01 -45.59 84.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.838 0.351 . . . . 0.0 111.075 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.0 mm -81.8 -24.09 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 120.797 0.332 . . . . 0.0 110.495 -173.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.526 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 84.0 t80 -60.77 -25.61 66.64 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.165 0.586 . . . . 0.0 111.914 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -75.07 -21.78 58.75 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.498 0.319 . . . . 0.0 111.845 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -76.79 -16.6 59.41 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 123.081 0.552 . . . . 0.0 109.884 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.41 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 95.4 mt -99.43 -50.83 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 O-C-N 123.448 0.467 . . . . 0.0 110.127 -173.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.526 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 86.9 mm-40 -66.34 1.7 1.51 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.01 -14.75 63.21 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.886 0.474 . . . . 0.0 111.628 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.08 11.36 0.03 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 115.002 0.761 . . . . 0.0 115.002 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.41 ' CD1' ' HA ' ' A' ' 51' ' ' ILE . 1.8 pp -156.46 -177.6 6.71 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.396 1.098 . . . . 0.0 111.396 -173.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 m -146.54 3.11 0.86 Allowed 'General case' 0 N--CA 1.462 0.166 0 O-C-N 122.312 -0.243 . . . . 0.0 111.507 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.81 123.24 5.22 Favored Pre-proline 0 N--CA 1.452 -0.33 0 O-C-N 121.709 -0.619 . . . . 0.0 110.247 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -51.51 172.42 0.12 Allowed 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 124.437 3.425 . . . . 0.0 113.777 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 CA--C 1.531 0.228 0 C-N-CA 124.886 1.275 . . . . 0.0 113.128 -178.214 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 O4'-C1'-N19 110.869 2.669 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . 0.474 " O4'" ' C8 ' ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 C3'-C2'-C1' 103.328 2.031 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ' A' . . . . . 0.556 ' C2 ' HD13 ' A' ' 4' ' ' LEU . . . . . . . . 0 O4'--C4' 1.425 -2.312 2 C5'-C4'-C3' 109.107 -4.262 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.425 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 C3'-C2'-C1' 103.896 2.663 . 0.094 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 1 O4'-C1'-N19 113.087 4.887 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.344 0 C5'-C4'-C3' 109.573 -3.951 . 0.069 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 O4'-C1'-N19 112.032 3.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.977 0 O4'-C1'-N19 110.477 2.277 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C5'-C4'-C3' 110.849 -3.1 . 0.417 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.44 ' C ' HD12 ' C' ' 3' ' ' ILE . 2.4 mt -140.08 149.12 42.7 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.44 HD12 ' C ' ' C' ' 2' ' ' LEU . 4.9 mp -138.29 138.2 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 176.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.76 166.16 26.95 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m -121.73 147.59 45.72 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 121.129 0.49 . . . . 0.0 109.968 -173.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.408 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 3.7 tpm_? -142.55 173.79 11.22 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 124.773 1.229 . . . . 0.0 107.829 -172.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -138.22 170.92 15.19 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 119.707 1.14 . . . . 0.0 110.238 169.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.462 ' HA ' HG13 ' C' ' 22' ' ' ILE . 7.9 m -57.87 132.8 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 120.991 0.424 . . . . 0.0 111.937 -172.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.8 -2.06 58.33 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.597 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -106.76 -178.63 3.7 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 117.991 0.896 . . . . 0.0 110.582 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 46.1 m -142.81 168.27 20.11 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -173.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -141.7 164.15 19.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 126.438 1.895 . . . . 0.0 106.724 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -138.94 154.95 48.37 Favored 'General case' 0 C--O 1.231 0.091 0 O-C-N 121.533 -0.729 . . . . 0.0 112.126 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.1 mt -140.51 145.02 26.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.32 -140.78 35.65 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -130.2 11.11 5.43 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.582 0.753 . . . . 0.0 110.142 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -138.28 10.67 2.77 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.789 0.836 . . . . 0.0 112.007 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -129.28 145.79 35.22 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 119.139 0.881 . . . . 0.0 110.69 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 52.5 m -140.78 155.43 46.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.677 0.791 . . . . 0.0 109.017 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -134.28 142.82 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -139.96 125.38 19.04 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.741 0.305 . . . . 0.0 110.329 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.462 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.5 tp -82.92 98.14 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 177.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.36 -27.57 64.44 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.708 -172.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.437 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.86 -173.26 34.53 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 112.011 -0.435 . . . . 0.0 112.011 177.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -129.63 161.13 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.075 0 CA-C-N 117.181 0.491 . . . . 0.0 111.434 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -150.46 89.96 1.61 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.73 -139.19 34.54 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 108.51 -1.836 . . . . 0.0 108.51 -173.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -72.81 -18.4 61.47 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 117.789 0.795 . . . . 0.0 110.173 176.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.61 149.44 47.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.8 t -137.33 117.62 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -177.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -87.08 125.72 34.31 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -134.17 154.53 37.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -173.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.48 159.07 19.99 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.4 mt -140.57 143.11 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -140.27 106.69 5.29 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.38 156.93 42.62 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 123.477 0.711 . . . . 0.0 109.692 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.57 158.28 50.75 Favored 'Trans proline' 0 N--CA 1.449 -1.13 0 C-N-CA 123.197 2.598 . . . . 0.0 111.261 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -71.52 -2.19 15.99 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.708 0.29 . . . . 0.0 110.813 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -70.36 -7.04 39.76 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.219 1.008 . . . . 0.0 111.027 173.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 m -137.83 168.2 20.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 123.836 0.854 . . . . 0.0 108.992 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.64 158.26 19.48 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.8 0.333 . . . . 0.0 111.26 -175.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.5 127.46 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.058 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -155.27 174.25 15.48 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.092 0.557 . . . . 0.0 110.349 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -73.68 157.47 36.51 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 175.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -57.76 -24.05 55.18 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.292 -0.255 . . . . 0.0 110.764 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.33 -48.77 63.98 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.705 0.402 . . . . 0.0 110.984 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 15.4 mm -75.76 -25.15 17.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.299 -174.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.488 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 81.9 t80 -62.59 -30.79 71.59 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.812 0.445 . . . . 0.0 111.516 -178.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -72.63 -21.34 61.12 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 122.569 0.348 . . . . 0.0 111.379 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -77.17 -19.76 56.37 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 98.2 mt -99.47 -46.71 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.263 -172.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.488 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 75.0 mm-40 -70.02 3.08 2.94 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.972 -0.455 . . . . 0.0 111.846 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.2 -16.88 64.0 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.534 0.333 . . . . 0.0 111.065 174.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.73 18.86 0.07 OUTLIER Glycine 0 CA--C 1.528 0.874 0 CA-C-O 118.867 -0.963 . . . . 0.0 114.372 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -158.89 -176.63 5.98 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.078 1.439 . . . . 0.0 113.304 -170.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.5 p -145.15 6.48 1.14 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 124.623 1.169 . . . . 0.0 110.763 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.49 122.06 3.38 Favored Pre-proline 0 N--CA 1.452 -0.339 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -51.83 173.58 0.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 124.47 3.447 . . . . 0.0 114.392 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 CA--C 1.531 0.232 0 C-N-CA 123.844 0.857 . . . . 0.0 112.296 179.876 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 O4'-C1'-N19 111.805 3.605 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . 0.429 " H3'" ' C8 ' ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C5'-C4'-C3' 110.529 -3.314 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 38' ' ' ' A' . . . . . 0.429 ' C8 ' " H3'" ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 O4'-C1'-N19 111.719 3.519 . 0.224 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' ' G' . . . . . 0.408 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 C3'-C2'-C1' 103.773 2.525 . 0.098 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 1 O4'-C1'-N19 112.772 4.572 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.004 0 C5'-C4'-C3' 110.053 -3.631 . 0.141 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 42' ' ' ' C' . . . . . 0.433 " H4'" HD13 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.736 1 O4'-C1'-N19 112.295 4.095 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . 0.442 " H1'" ' C5 ' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.995 0 C4'-C3'-C2' 100.465 -2.235 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . 0.442 ' C5 ' " H1'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.877 0 O4'-C1'-N19 111.789 3.589 . 0.014 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 tpt . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.414 ' C ' HD12 ' A' ' 3' ' ' ILE . 5.3 mt -138.46 154.28 48.84 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 175.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.414 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.3 mp -137.57 146.56 27.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 177.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -147.34 166.13 28.05 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.628 0.771 . . . . 0.0 110.277 -175.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -132.75 99.41 4.61 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.454 0.645 . . . . 0.0 109.285 171.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -102.88 159.39 15.54 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 125.372 1.469 . . . . 0.0 108.529 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -122.43 170.62 9.78 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.67 1.123 . . . . 0.0 110.79 171.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.463 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 5.9 m -57.24 135.64 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.431 -172.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.7 1.79 70.53 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.569 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -107.15 -179.98 4.09 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 117.907 0.853 . . . . 0.0 110.748 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -145.36 172.19 13.53 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.4 mt -150.94 158.9 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 126.973 2.109 . . . . 0.0 107.019 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -134.13 154.65 51.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.708 0.686 . . . . 0.0 111.239 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.3 mt -140.08 144.68 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.44 -139.63 30.38 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 109.916 -1.273 . . . . 0.0 109.916 -175.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -130.79 10.61 5.11 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.226 0.61 . . . . 0.0 109.428 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -138.21 10.63 2.79 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.354 0.661 . . . . 0.0 111.51 -178.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.67 145.08 36.1 Favored 'Isoleucine or valine' 0 C--N 1.343 0.297 0 CA-C-N 118.393 0.542 . . . . 0.0 110.257 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.9 m -140.23 156.38 46.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -137.11 145.11 30.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.0 m -142.98 146.14 33.64 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.433 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.3 tp -105.51 97.99 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.43 HD22 ' C2 ' ' D' ' 42' ' ' ' C' . 10.8 mt -66.88 -29.97 70.0 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -173.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.5 -173.35 36.26 Favored Glycine 0 CA--C 1.526 0.753 0 CA-C-N 118.158 0.435 . . . . 0.0 112.517 177.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -134.91 163.64 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 CA-C-O 121.236 0.541 . . . . 0.0 111.3 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.2 t -152.5 89.72 1.44 Allowed 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.72 -102.61 1.54 Allowed Glycine 0 C--N 1.337 0.607 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -106.73 -17.5 14.21 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -71.79 146.08 48.28 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.2 t -137.3 111.11 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 -176.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -84.27 123.86 30.6 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -127.01 155.16 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.121 -172.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.27 154.86 20.51 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.5 mt -141.09 144.45 26.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -175.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -140.56 109.1 5.89 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.87 156.8 40.99 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 123.456 0.702 . . . . 0.0 109.569 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.54 158.58 44.91 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 122.973 2.449 . . . . 0.0 111.13 176.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -70.25 -0.84 8.73 Favored 'General case' 0 CA--C 1.527 0.094 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 173.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -67.17 -11.64 57.87 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.416 1.486 . . . . 0.0 110.905 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 m -138.63 168.39 19.59 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 C-N-CA 123.632 0.773 . . . . 0.0 109.851 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.99 155.66 20.63 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.81 0.338 . . . . 0.0 110.842 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -156.11 129.03 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.086 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -156.84 174.79 14.97 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 123.915 0.886 . . . . 0.0 108.75 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -81.61 168.09 18.54 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 173.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -59.84 -23.19 63.19 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -70.07 -39.88 75.36 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 122.044 -0.41 . . . . 0.0 111.728 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -86.43 -26.21 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -174.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.457 ' HA ' HG12 ' A' ' 51' ' ' ILE . 75.6 t80 -58.31 -30.44 66.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 122.722 0.409 . . . . 0.0 111.068 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -68.29 -21.27 64.8 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.853 0.461 . . . . 0.0 111.321 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -85.8 -22.08 27.83 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.457 HG12 ' HA ' ' A' ' 48' ' ' TYR . 8.0 mm -72.57 -48.06 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 176.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -80.26 2.71 23.46 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.969 0.908 . . . . 0.0 111.605 -175.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.86 -16.97 63.91 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.94 24.25 0.11 Allowed Glycine 0 C--N 1.34 0.79 0 CA-C-O 119.045 -0.864 . . . . 0.0 113.857 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -151.14 23.19 0.74 Allowed 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 118.765 1.283 . . . . 0.0 114.376 -169.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.7 m -63.32 -7.56 6.62 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.062 0.846 . . . . 0.0 111.128 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -145.75 77.68 12.18 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 125.25 1.42 . . . . 0.0 107.868 176.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -50.01 174.13 0.05 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.419 1 C-N-CA 126.098 4.532 . . . . 0.0 115.744 -173.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t70 . . . . . 0 CA--C 1.534 0.351 0 C-N-CA 124.965 1.306 . . . . 0.0 112.938 -179.014 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 C5'-C4'-C3' 111.913 -2.391 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.778 0 O5'-C5'-C4' 113.426 2.305 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ' A' . . . . . 0.457 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.391 3.191 . 0.116 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.457 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C3'-C2'-C1' 103.683 2.426 . 0.052 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 1 O4'-C1'-N19 113.506 5.306 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C5'-C4'-C3' 110.54 -3.306 . 0.101 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ' C' . . . . . 0.602 " H3'" H5'' ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.776 1 O4'-C1'-N19 112.649 4.449 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . 0.602 H5'' " H3'" ' B' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.408 -3.774 0 C4'-C3'-C2' 99.075 -3.625 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . 0.502 ' C6 ' " O4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 O4'-C1'-N19 111.62 3.42 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.55 -0.262 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.7 mt -139.52 154.29 47.65 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 118.269 0.486 . . . . 0.0 109.916 175.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -136.92 145.88 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -146.47 168.3 21.52 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.083 0.953 . . . . 0.0 109.804 -176.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 9.8 m -134.71 101.18 4.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.418 0.627 . . . . 0.0 109.395 171.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -104.05 162.73 12.9 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 124.931 1.293 . . . . 0.0 108.468 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -127.15 168.35 14.78 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 119.359 0.981 . . . . 0.0 110.873 173.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.452 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.0 m -56.86 131.47 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.319 0.58 . . . . 0.0 112.1 -170.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.42 0.79 59.38 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.443 -0.798 . . . . 0.0 112.657 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -110.5 -179.6 3.81 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.972 0.886 . . . . 0.0 109.947 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 41.8 m -144.0 168.26 20.41 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -170.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -141.89 164.74 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 126.144 1.778 . . . . 0.0 107.108 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -140.05 154.3 47.04 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.898 0.772 . . . . 0.0 112.053 -176.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 46.5 mt -141.77 147.51 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -141.42 35.31 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -130.13 10.43 5.38 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.536 0.735 . . . . 0.0 110.285 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -138.94 10.2 2.6 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.648 0.779 . . . . 0.0 111.949 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.27 145.4 35.43 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-N 119.057 0.844 . . . . 0.0 110.709 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -140.75 156.02 46.29 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -135.31 145.79 31.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.5 m -140.05 145.68 38.02 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.444 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.0 OUTLIER -105.75 94.48 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.46 HD22 ' C2 ' ' B' ' 42' ' ' ' C' . 11.5 mt -65.43 -28.8 69.49 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -173.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.452 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.03 -173.29 36.67 Favored Glycine 0 CA--C 1.524 0.651 0 CA-C-N 118.26 0.482 . . . . 0.0 112.775 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -137.47 163.67 30.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 117.018 0.409 . . . . 0.0 111.185 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.2 t -151.8 89.73 1.49 Allowed 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.993 0.917 . . . . 0.0 109.049 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.78 -102.53 1.42 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -177.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -106.09 -17.77 14.23 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 117.066 0.433 . . . . 0.0 109.903 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -69.26 147.05 51.76 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -139.23 111.98 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 -177.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 ttt-85 -85.77 127.34 34.51 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -131.37 155.04 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -170.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.77 154.58 19.77 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -140.55 142.21 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -139.72 106.12 5.3 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.2 157.93 42.04 Favored Pre-proline 0 N--CA 1.453 -0.295 0 C-N-CA 123.867 0.867 . . . . 0.0 109.395 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.81 158.95 48.11 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 123.252 2.634 . . . . 0.0 110.829 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' C' ' 38' ' ' LYS . 13.6 mmmm -70.08 -0.69 8.11 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 121.116 0.484 . . . . 0.0 110.41 172.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.98 -11.6 57.29 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.052 1.341 . . . . 0.0 110.888 173.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 m -137.34 168.55 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.752 0.821 . . . . 0.0 109.838 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.41 155.45 20.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 122.25 -0.281 . . . . 0.0 110.959 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -157.78 128.08 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 174.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -154.43 165.99 34.66 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.89 0.476 . . . . 0.0 109.953 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -63.22 151.49 40.25 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 172.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -64.28 -12.21 39.27 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.616 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.24 -43.87 66.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.421 0.688 . . . . 0.0 110.466 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 16.5 mm -83.1 -25.21 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 O-C-N 122.255 -0.278 . . . . 0.0 110.496 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.409 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 72.3 t80 -59.2 -28.14 66.37 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 122.174 -0.329 . . . . 0.0 110.885 178.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -77.23 -21.98 52.95 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.749 0.419 . . . . 0.0 111.354 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -81.79 -17.02 49.04 Favored 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 123.467 0.707 . . . . 0.0 109.796 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 91.5 mt -99.05 -47.33 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 O-C-N 123.17 0.294 . . . . 0.0 110.616 -173.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.409 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 80.1 mm-40 -68.61 2.97 2.06 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.92 -15.15 63.02 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 119.511 -0.281 . . . . 0.0 111.666 175.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.29 14.33 0.05 OUTLIER Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.122 -0.821 . . . . 0.0 114.656 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -156.97 -172.15 3.93 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.887 1.343 . . . . 0.0 112.111 -172.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 5.1 m -142.33 -1.2 1.2 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.609 0.364 . . . . 0.0 111.597 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.1 76.96 5.69 Favored Pre-proline 0 CA--C 1.532 0.26 0 O-C-N 121.733 -0.604 . . . . 0.0 110.831 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -47.34 -47.72 16.83 Favored 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 123.843 3.029 . . . . 0.0 113.31 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 N--CA 1.455 -0.204 0 C-N-CA 122.701 0.401 . . . . 0.0 109.92 -176.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 1 C5'-C4'-C3' 109.136 -4.243 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . 0.403 " H5'" ' N7 ' ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.832 1 C5'-C4'-C3' 107.929 -5.047 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 38' ' ' ' A' . . . . . 0.448 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.865 0 O4'-C1'-N19 111.072 2.872 . 0.185 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' ' G' . . . . . 0.448 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 P-O3'-C3' 122.743 2.536 . 0.105 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 O4'-C1'-N19 113.261 5.061 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C3'-C2'-C1' 104.335 3.15 . 0.145 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 42' ' ' ' C' . . . . . 0.598 " H3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.801 1 O4'-C1'-N19 112.584 4.384 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . 0.598 H5'' " H3'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.407 -3.835 0 C4'-C3'-C2' 98.739 -3.961 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . 0.528 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 O4'-C1'-N19 111.754 3.554 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.536 -0.172 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.401 ' C ' HD12 ' A' ' 3' ' ' ILE . 6.8 mt -100.75 152.08 20.91 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.852 0.358 . . . . 0.0 110.473 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.401 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.6 mp -137.09 133.44 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 172.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -161.08 165.55 29.48 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -125.69 147.07 49.47 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 121.066 0.46 . . . . 0.0 111.241 -171.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.81 173.6 11.33 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 125.839 1.656 . . . . 0.0 107.985 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -129.52 171.34 12.68 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.298 0.499 . . . . 0.0 109.883 168.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.466 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.2 m -56.52 133.6 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.768 -174.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.35 1.56 62.41 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.806 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -106.21 179.47 4.26 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.119 0.96 . . . . 0.0 111.542 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.7 m -144.57 168.35 20.35 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -171.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' C' ' 44' ' ' ARG . 32.9 mm -144.88 164.09 13.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 127.119 2.168 . . . . 0.0 107.292 -176.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -135.63 153.41 51.65 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.269 0.94 . . . . 0.0 112.086 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt -140.94 143.13 28.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 177.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.85 -138.75 44.17 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -176.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -130.65 10.32 5.14 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -141.79 11.06 2.03 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.267 0.627 . . . . 0.0 112.055 -175.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.25 141.07 47.26 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.139 0 CA-C-N 118.925 0.784 . . . . 0.0 109.703 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.7 m -136.58 154.85 50.57 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -134.2 146.39 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.1 m -142.58 145.74 33.88 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.412 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.2 tp -102.96 100.53 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.468 HD22 ' C2 ' ' D' ' 42' ' ' ' C' . 12.1 mt -68.87 -29.77 68.14 Favored 'General case' 0 CA--C 1.528 0.132 0 O-C-N 122.189 -0.32 . . . . 0.0 111.489 -174.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.466 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.26 -174.89 35.49 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-N 118.077 0.399 . . . . 0.0 112.584 176.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -138.71 163.71 27.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 O-C-N 122.411 -0.464 . . . . 0.0 111.044 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.7 t -154.26 115.22 4.03 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 172.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.08 -102.51 0.66 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -115.37 -13.94 11.64 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.954 0.377 . . . . 0.0 110.613 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -71.27 148.75 46.87 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.6 t -137.63 110.79 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -86.65 126.89 34.84 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -128.76 155.22 40.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -170.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.1 154.41 19.84 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 109.764 -1.335 . . . . 0.0 109.764 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.6 mt -140.59 143.06 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -139.52 105.82 5.27 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -176.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.4 157.25 42.22 Favored Pre-proline 0 N--CA 1.452 -0.353 0 C-N-CA 123.496 0.718 . . . . 0.0 109.644 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -64.71 158.72 48.93 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 123.211 2.607 . . . . 0.0 110.884 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 10.5 mmmm -70.76 -0.43 8.92 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 121.178 0.513 . . . . 0.0 110.055 172.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.68 -11.3 53.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.844 1.258 . . . . 0.0 110.698 173.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -138.56 168.63 19.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 123.895 0.878 . . . . 0.0 109.37 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.44 158.38 18.01 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -158.15 129.22 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -155.68 171.43 19.99 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 122.906 0.482 . . . . 0.0 110.015 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -70.05 158.48 35.62 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -61.46 -19.43 61.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.852 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -69.96 -47.86 60.63 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.101 0.56 . . . . 0.0 110.43 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -78.71 -25.65 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 120.697 0.284 . . . . 0.0 110.868 -173.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.468 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 86.5 t80 -62.27 -27.25 68.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 122.736 0.414 . . . . 0.0 111.497 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -74.1 -20.76 60.16 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.841 -0.537 . . . . 0.0 111.567 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -73.86 -17.91 60.99 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.9 mt -99.23 -41.51 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 C-N-CA 123.196 0.598 . . . . 0.0 109.697 -174.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.468 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 72.5 mm-40 -71.84 2.3 5.68 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 121.992 -0.442 . . . . 0.0 111.959 178.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.39 -13.87 62.6 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 123.116 0.567 . . . . 0.0 112.022 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.1 18.56 0.08 OUTLIER Glycine 0 C--N 1.343 0.921 0 CA-C-O 119.161 -0.799 . . . . 0.0 113.964 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 pp -158.28 -171.02 3.31 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.658 1.229 . . . . 0.0 112.023 -170.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 m -141.54 5.6 1.82 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.888 0.475 . . . . 0.0 110.443 176.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.87 78.26 7.45 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 123.104 0.562 . . . . 0.0 110.315 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -48.65 147.77 9.21 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 124.337 3.358 . . . . 0.0 114.119 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 125.332 1.453 . . . . 0.0 114.361 175.865 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 C5'-C4'-C3' 110.36 -3.427 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . 0.465 " H3'" ' C8 ' ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 C5'-C4'-C3' 109.726 -3.849 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ' A' . . . . . 0.465 ' C8 ' " H3'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 O4'-C1'-N19 111.978 3.778 . 0.116 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.414 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 P-O3'-C3' 122.425 2.27 . 0.078 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 1 O4'-C1'-N19 114.101 5.901 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.42 0 C5'-C4'-C3' 109.94 -3.706 . 0.1 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 O4'-C1'-N19 111.992 3.792 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . 0.423 " H1'" ' C5 ' ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.963 0 C4'-C3'-C2' 100.623 -2.077 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . 0.423 ' C5 ' " H1'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.822 1 O4'-C1'-N19 112.353 4.153 . 0.01 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.0 tpt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mt -138.7 150.8 46.57 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.827 0.451 . . . . 0.0 109.836 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -138.75 134.42 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.51 165.39 26.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -123.17 147.32 46.97 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.218 0.533 . . . . 0.0 111.512 -171.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.25 173.93 11.02 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 125.914 1.686 . . . . 0.0 108.022 -178.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -132.07 170.99 14.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.34 0.518 . . . . 0.0 110.369 168.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.467 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 7.4 m -56.34 128.38 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.771 -173.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.81 4.11 55.81 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.423 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -110.25 179.84 3.98 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.196 0.998 . . . . 0.0 111.113 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -145.63 168.0 21.73 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -172.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -142.29 165.42 17.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 127.064 2.146 . . . . 0.0 106.642 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -139.15 155.56 47.77 Favored 'General case' 0 CA--C 1.524 -0.052 0 O-C-N 121.385 -0.822 . . . . 0.0 112.154 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.0 mt -139.85 152.53 22.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.59 -139.24 35.76 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -130.39 10.43 5.26 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.707 0.803 . . . . 0.0 109.003 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -144.78 12.21 1.45 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.746 0.818 . . . . 0.0 111.871 -175.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -127.43 146.09 33.79 Favored 'Isoleucine or valine' 0 C--N 1.34 0.183 0 CA-C-N 119.018 0.826 . . . . 0.0 110.733 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -138.54 153.47 48.72 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.69 145.08 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -140.68 146.44 37.85 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.415 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.0 OUTLIER -105.04 94.82 3.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -66.66 -28.68 68.66 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.92 -173.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.42 -173.82 37.05 Favored Glycine 0 CA--C 1.525 0.66 0 CA-C-N 118.035 0.38 . . . . 0.0 113.015 176.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -135.86 163.56 34.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 C-N-CA 122.535 0.334 . . . . 0.0 111.023 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 46.9 t -151.01 89.96 1.57 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.79 -95.39 1.01 Allowed Glycine 0 C--N 1.337 0.59 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -114.35 -15.08 12.16 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 174.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -69.65 149.59 47.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 81.0 t -138.41 111.53 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -87.48 127.99 35.23 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.19 155.39 41.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -169.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.56 153.92 20.16 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.4 mt -140.84 143.35 28.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -175.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -140.24 106.56 5.27 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.18 157.63 42.46 Favored Pre-proline 0 N--CA 1.451 -0.393 0 C-N-CA 123.699 0.8 . . . . 0.0 109.349 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.65 158.04 52.36 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 122.984 2.456 . . . . 0.0 110.872 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -71.71 -3.65 23.05 Favored 'General case' 0 CA--C 1.526 0.038 0 O-C-N 122.115 -0.365 . . . . 0.0 110.506 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -69.57 -7.51 39.12 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.554 1.141 . . . . 0.0 110.989 174.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -136.4 168.67 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.153 0.981 . . . . 0.0 108.528 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.82 157.93 21.66 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.67 0.271 . . . . 0.0 110.959 -175.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -158.26 131.41 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -156.79 172.03 19.34 Favored 'General case' 0 C--N 1.339 0.118 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.458 ' HA ' HD13 ' A' ' 12' ' ' ILE . 73.0 mtm-85 -68.72 156.25 38.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -65.97 -8.42 22.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 110.44 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -79.24 -48.53 14.02 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.449 0.7 . . . . 0.0 109.73 174.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.42 -27.43 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.223 0.609 . . . . 0.0 109.804 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.486 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 77.0 t80 -60.33 -30.63 69.64 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 122.271 0.228 . . . . 0.0 111.399 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -74.87 -21.37 59.29 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 122.229 -0.294 . . . . 0.0 111.331 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -78.4 -17.67 56.09 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 123.084 0.553 . . . . 0.0 109.609 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -99.43 -46.63 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 C-N-CA 122.657 0.383 . . . . 0.0 110.674 -173.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.486 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 84.2 mm-40 -69.37 2.97 2.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.31 -16.31 64.19 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 122.895 0.478 . . . . 0.0 111.531 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.04 16.52 0.04 OUTLIER Glycine 0 CA--C 1.528 0.895 0 CA-C-O 119.217 -0.768 . . . . 0.0 113.822 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 pp -157.01 -169.88 3.1 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.476 1.138 . . . . 0.0 111.613 -172.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.1 m -136.93 -7.51 1.85 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.694 0.398 . . . . 0.0 110.787 178.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.64 116.22 2.47 Favored Pre-proline 0 N--CA 1.452 -0.363 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -47.85 -38.78 31.04 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.997 3.132 . . . . 0.0 113.486 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 N--CA 1.456 -0.161 0 O-C-N 123.251 0.344 . . . . 0.0 110.764 -176.946 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . 0.408 H5'' ' C6 ' ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 110.119 -3.588 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . 0.474 " H3'" ' C8 ' ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.927 1 C5'-C4'-C3' 108.547 -4.635 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 38' ' ' ' A' . . . . . 0.5 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.687 1 O4'-C1'-N19 112.923 4.723 . 0.099 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 39' ' ' ' G' . . . . . 0.5 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.303 0 C3'-C2'-C1' 103.844 2.604 . 0.056 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 1 O4'-C1'-N19 113.673 5.473 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 C5'-C4'-C3' 110.263 -3.491 . 0.11 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 42' ' ' ' C' . . . . . 0.584 " H3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.864 1 O4'-C1'-N19 112.403 4.203 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . 0.584 H5'' " H3'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.408 -3.755 0 C4'-C3'-C2' 99.096 -3.604 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . 0.523 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 111.737 3.537 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 tpt . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.406 HD12 HG13 ' C' ' 42' ' ' VAL . 5.4 mt -140.85 156.39 46.14 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 174.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.42 HG22 ' H62' ' B' ' 43' ' ' ' A' . 4.6 mp -136.88 145.23 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 176.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -144.6 166.8 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.954 0.901 . . . . 0.0 109.769 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.437 HG21 ' C4 ' ' B' ' 36' ' ' ' U' . 0.2 OUTLIER -134.19 97.86 3.96 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 172.458 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -104.56 162.2 13.46 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.272 1.429 . . . . 0.0 109.188 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -120.25 169.69 10.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.859 1.209 . . . . 0.0 111.419 172.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.452 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 8.8 m -58.9 134.61 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.433 -173.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.25 -3.86 60.15 Favored Glycine 0 CA--C 1.527 0.813 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.46 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -104.86 -178.98 3.81 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.152 0.976 . . . . 0.0 110.887 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.3 m -143.18 173.42 11.6 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -171.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.459 ' HA ' ' HA ' ' C' ' 44' ' ' ARG . 37.4 mt -153.38 165.01 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 126.911 2.085 . . . . 0.0 106.932 -172.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -141.3 155.25 45.99 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 119.276 0.944 . . . . 0.0 112.415 -175.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.4 mt -139.58 151.6 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.88 -140.02 35.42 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -129.96 10.17 5.43 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -142.47 12.28 1.93 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.784 0.833 . . . . 0.0 111.694 -176.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.77 146.15 34.56 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-N 118.769 0.713 . . . . 0.0 109.987 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -139.93 155.02 47.36 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.4 mm -135.66 148.61 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -141.28 146.84 37.29 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.406 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.2 tp -105.89 94.78 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.436 HD22 ' C2 ' ' D' ' 42' ' ' ' C' . 10.5 mt -66.44 -30.42 70.77 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -173.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.452 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 160.05 -172.86 36.63 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.559 -0.353 . . . . 0.0 113.043 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -132.19 163.12 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.863 0.363 . . . . 0.0 111.406 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.4 t -151.99 90.34 1.52 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.966 0.907 . . . . 0.0 108.997 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.41 -100.61 1.55 Allowed Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -113.25 -17.32 12.36 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -68.76 149.75 48.66 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.1 t -135.83 117.68 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -82.7 121.18 26.53 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.4 155.16 34.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -174.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.63 154.32 20.36 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.9 mt -140.99 142.99 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -140.32 107.24 5.41 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.12 156.94 40.27 Favored Pre-proline 0 N--CA 1.453 -0.313 0 C-N-CA 123.391 0.676 . . . . 0.0 110.093 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.49 158.78 51.08 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 123.577 2.852 . . . . 0.0 111.431 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 9.0 mmmm -72.87 -0.86 14.68 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.831 0.348 . . . . 0.0 110.622 175.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.83 -7.44 45.35 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.172 0.989 . . . . 0.0 110.826 172.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -138.5 168.46 19.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 123.786 0.834 . . . . 0.0 108.869 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.11 159.83 17.0 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -175.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.4 p -159.73 129.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 123.533 0.733 . . . . 0.0 109.75 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -153.72 172.79 16.74 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 122.979 0.512 . . . . 0.0 110.036 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -71.3 159.35 34.75 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -60.0 -23.62 63.81 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.328 0.513 . . . . 0.0 110.394 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.42 -50.01 36.14 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.012 0.525 . . . . 0.0 111.125 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.14 -27.29 29.1 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.178 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.52 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 78.2 t80 -61.35 -32.06 71.95 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.799 0.44 . . . . 0.0 111.892 -178.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -72.04 -21.93 61.46 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.519 0.328 . . . . 0.0 111.552 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -76.23 -18.55 58.98 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.7 mt -99.87 -44.87 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.205 -174.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.52 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 85.7 mm-40 -72.93 2.99 5.82 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.72 -15.82 59.51 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.542 0.337 . . . . 0.0 111.385 176.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.08 18.09 0.07 OUTLIER Glycine 0 C--N 1.343 0.94 0 CA-C-O 119.249 -0.751 . . . . 0.0 113.514 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -155.48 -173.28 4.48 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.348 1.074 . . . . 0.0 112.086 -170.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 m -143.33 5.26 1.44 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.177 0.591 . . . . 0.0 110.011 175.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.43 124.54 4.52 Favored Pre-proline 0 N--CA 1.45 -0.46 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -49.69 172.33 0.07 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 124.922 3.748 . . . . 0.0 114.218 175.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 CA--C 1.53 0.181 0 C-N-CA 124.324 1.05 . . . . 0.0 113.208 -176.628 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . 0.437 ' C4 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C5'-C4'-C3' 109.786 -3.809 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C5'-C4'-C3' 110.659 -3.227 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ' A' . . . . . 0.493 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 O4'-C1'-N19 111.264 3.064 . 0.046 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.493 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.065 0 P-O3'-C3' 122.204 2.087 . 0.089 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 1 O4'-C1'-N19 113.041 4.841 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C3'-C2'-C1' 104.525 3.361 . 0.184 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ' C' . . . . . 0.529 ' C6 ' " H5'" ' B' ' 42' ' ' ' C' . . . . . . . . 0 P--O5' 1.62 2.721 1 C3'-C2'-C1' 105.94 4.933 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . 0.42 ' H62' HG22 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 O3'-P-O5' 97.717 -3.307 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 0 C5'-C4'-O4' 114.459 3.757 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.474 0.771 0 CA-C-O 119.537 -0.268 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.45 HD21 " H1'" ' D' ' 39' ' ' ' G' . 5.4 mt -140.35 156.27 46.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 172.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.407 HD12 ' C ' ' C' ' 2' ' ' LEU . 3.8 mp -134.88 136.64 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 176.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -131.83 163.14 28.91 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.586 1.154 . . . . 0.0 109.701 -172.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.453 ' HB ' ' H61' ' D' ' 38' ' ' ' A' . 1.8 m -134.29 122.11 22.22 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 169.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -136.23 152.18 50.48 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.193 1.397 . . . . 0.0 108.068 -174.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -116.15 171.64 7.68 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 119.975 1.261 . . . . 0.0 111.145 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.442 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 11.1 m -60.31 129.19 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.349 -171.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.43 1.54 55.58 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.543 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -111.18 -178.58 3.5 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.076 0.938 . . . . 0.0 110.708 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 42.4 m -141.89 169.04 18.34 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -173.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.7 mm -141.52 165.95 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.893 2.077 . . . . 0.0 106.901 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -139.01 154.98 48.31 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 119.064 0.847 . . . . 0.0 112.685 -175.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -141.58 148.03 21.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 C-N-CA 124.435 1.094 . . . . 0.0 108.64 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.54 -140.16 29.8 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -129.22 10.57 5.82 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 123.811 0.844 . . . . 0.0 109.632 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -142.73 11.86 1.86 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.358 0.663 . . . . 0.0 111.621 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.49 146.24 34.49 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 118.742 0.701 . . . . 0.0 110.543 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 56.3 m -140.72 155.91 46.33 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.058 0.943 . . . . 0.0 108.831 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -134.52 145.54 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 9.5 m -138.96 151.15 46.64 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.418 HG13 ' HA ' ' C' ' 8' ' ' VAL . 0.9 OUTLIER -115.12 90.3 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.29 -25.48 67.65 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -172.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.442 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 159.8 -172.97 36.45 Favored Glycine 0 C--N 1.34 0.764 0 CA-C-N 118.066 0.394 . . . . 0.0 112.88 176.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.5 m -139.1 164.37 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 C-N-CA 122.97 0.508 . . . . 0.0 110.844 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -152.4 89.47 1.43 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.445 0.698 . . . . 0.0 109.258 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.06 -94.15 1.1 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -113.34 -16.36 12.5 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 173.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -67.13 148.36 51.95 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 67.5 t -141.36 109.9 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -83.57 121.42 27.2 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt -126.05 154.69 35.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -171.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.23 153.51 19.89 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.0 mt -140.75 139.59 34.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.25 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -138.15 105.62 5.55 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -174.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.55 156.74 45.38 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.671 0.789 . . . . 0.0 109.699 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.76 158.87 40.06 Favored 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 122.849 2.366 . . . . 0.0 110.9 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -69.26 -0.73 6.57 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.96 0.41 . . . . 0.0 110.082 172.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.02 -11.81 58.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.92 1.288 . . . . 0.0 110.788 173.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -137.74 167.06 23.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 C-N-CA 124.095 0.958 . . . . 0.0 109.28 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.77 160.13 15.71 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 122.298 -0.251 . . . . 0.0 110.842 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.406 HG13 HD12 ' A' ' 2' ' ' LEU . 0.9 OUTLIER -158.08 131.63 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 174.819 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -155.58 173.59 16.48 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 29.8 ptt-85 -82.51 166.5 19.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 173.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -64.0 -9.61 16.89 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.956 0.503 . . . . 0.0 112.318 -176.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -78.64 -45.14 22.16 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.399 -0.813 . . . . 0.0 110.637 173.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -81.63 -29.02 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 O-C-N 122.332 -0.23 . . . . 0.0 110.939 -172.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.472 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 83.6 t80 -62.86 -27.46 69.35 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 122.251 -0.281 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -77.22 -21.31 54.01 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.142 -0.349 . . . . 0.0 111.643 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -73.26 -18.81 61.18 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 92.8 mt -99.39 -47.41 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 C-N-CA 123.163 0.585 . . . . 0.0 109.908 -173.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.472 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 70.9 mm-40 -68.62 2.66 2.29 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.97 -16.77 63.77 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.372 0.269 . . . . 0.0 111.117 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.72 18.54 0.07 OUTLIER Glycine 0 CA--C 1.526 0.768 0 CA-C-O 119.227 -0.763 . . . . 0.0 114.188 176.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -157.3 178.12 10.68 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.834 1.317 . . . . 0.0 112.769 -171.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.1 p -149.35 9.32 0.73 Allowed 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.446 1.098 . . . . 0.0 110.34 173.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.64 123.78 4.27 Favored Pre-proline 0 N--CA 1.453 -0.286 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -50.17 172.58 0.07 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 124.779 3.652 . . . . 0.0 114.535 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.53 0.204 0 C-N-CA 124.452 1.101 . . . . 0.0 113.045 -178.59 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . 0.404 " H4'" ' OP2' ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 C5'-C4'-C3' 111.142 -2.906 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . 0.404 ' OP2' " H4'" ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 O5'-C5'-C4' 113.097 2.069 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 38' ' ' ' A' . . . . . 0.512 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.997 0 O4'-C1'-N19 111.366 3.166 . 0.058 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' ' G' . . . . . 0.512 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 P-O3'-C3' 122.727 2.522 . 0.068 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 1 O4'-C1'-N19 113.468 5.268 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 C5'-C4'-C3' 110.63 -3.247 . 0.097 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 42' ' ' ' C' . . . . . 0.436 ' C2 ' HD22 ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 C3'-C2'-C1' 103.544 2.271 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 1 C4'-C3'-C2' 98.69 -4.01 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.922 0 C3'-C2'-C1' 104.59 3.434 . 0.067 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.427 ' C ' HD12 ' A' ' 3' ' ' ILE . 4.9 mt -136.05 152.76 51.23 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.501 ' CD1' " H4'" ' B' ' 42' ' ' ' C' . 4.4 mp -135.43 147.75 28.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 177.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -145.8 165.78 27.84 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.803 0.841 . . . . 0.0 109.123 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -137.55 86.1 2.16 Favored 'General case' 0 C--O 1.23 0.054 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 175.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -99.85 162.94 12.68 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.077 1.351 . . . . 0.0 109.058 -173.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -121.26 171.79 8.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 120.146 1.339 . . . . 0.0 112.096 175.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.489 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 9.1 m -59.5 134.51 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.894 -172.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.39 -1.11 62.06 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.034 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -105.4 -178.9 3.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 117.596 0.698 . . . . 0.0 110.227 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.9 m -144.28 168.3 20.39 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -173.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.0 mt -144.81 166.0 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 126.11 1.764 . . . . 0.0 106.982 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -141.16 157.46 45.24 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-N 119.069 0.85 . . . . 0.0 112.44 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.1 mt -141.89 150.88 18.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 124.451 1.1 . . . . 0.0 108.875 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.5 -141.97 30.28 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -128.66 10.85 6.14 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.603 0.761 . . . . 0.0 109.728 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -141.69 12.6 2.09 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.77 0.828 . . . . 0.0 111.87 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.55 146.77 33.45 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 CA-C-N 119.127 0.876 . . . . 0.0 110.858 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.6 m -140.4 155.48 46.72 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.208 1.003 . . . . 0.0 108.867 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.1 mm -135.43 148.18 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 m -141.71 154.5 45.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.42 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.1 tp -119.68 90.25 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.619 HD11 " H1'" ' D' ' 42' ' ' ' C' . 7.8 mt -66.05 -27.62 68.23 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.977 -0.452 . . . . 0.0 111.858 -172.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 160.65 -174.63 37.35 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 121.116 -0.564 . . . . 0.0 113.446 178.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.13 163.11 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.974 0.416 . . . . 0.0 111.345 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.7 t -154.46 111.35 3.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.738 0.815 . . . . 0.0 108.824 173.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.1 -100.46 0.71 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -117.7 -16.83 10.01 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.021 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -71.43 148.32 47.01 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.8 t -134.15 116.61 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -85.13 121.94 28.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -126.45 155.35 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 O-C-N 123.977 0.798 . . . . 0.0 109.274 -172.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.86 153.05 18.24 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt -140.64 139.72 34.58 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -177.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -140.38 106.47 5.22 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.51 157.43 44.88 Favored Pre-proline 0 N--CA 1.451 -0.407 0 C-N-CA 123.485 0.714 . . . . 0.0 109.539 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.65 159.13 46.58 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 123.194 2.596 . . . . 0.0 110.827 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -69.85 -0.56 7.45 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.201 0.524 . . . . 0.0 110.129 173.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.69 -10.4 56.05 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.086 1.354 . . . . 0.0 111.055 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -139.16 168.65 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.55 0.74 . . . . 0.0 109.704 -178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.22 155.86 19.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.996 0.427 . . . . 0.0 111.326 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.98 127.14 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -153.62 171.73 18.34 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.8 mtm105 -71.96 161.22 31.25 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 173.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' CD ' HE21 ' A' ' 49' ' ' GLN . 9.8 tm-20 -62.27 -21.4 65.18 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -73.47 -34.08 65.17 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.995 0.918 . . . . 0.0 111.838 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.18 -28.03 5.05 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -178.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.528 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 81.5 t80 -59.94 -31.27 69.7 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.637 0.375 . . . . 0.0 111.966 -177.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.412 HE21 ' CD ' ' A' ' 45' ' ' GLU . 75.5 mt-30 -69.94 -21.56 63.26 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.784 0.433 . . . . 0.0 111.932 -178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -78.05 -18.57 55.64 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 122.945 0.498 . . . . 0.0 109.737 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.5 mt -99.96 -44.84 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 123.672 0.608 . . . . 0.0 110.473 -173.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.528 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 81.1 mm-40 -72.48 3.09 5.22 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.963 -0.46 . . . . 0.0 112.238 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.2 -15.33 62.34 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 122.786 0.434 . . . . 0.0 112.033 177.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.59 17.02 0.07 OUTLIER Glycine 0 CA--C 1.528 0.901 0 CA-C-O 119.607 -0.552 . . . . 0.0 113.646 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -156.03 -166.67 2.24 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.298 1.049 . . . . 0.0 111.217 -171.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.6 m -137.49 -7.5 1.72 Allowed 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 122.892 0.477 . . . . 0.0 111.046 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.02 95.52 2.37 Favored Pre-proline 0 N--CA 1.451 -0.424 0 C-N-CA 123.158 0.583 . . . . 0.0 109.897 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -52.74 170.28 0.29 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 124.138 3.225 . . . . 0.0 114.596 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.588 -179.857 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C5'-C4'-C3' 109.866 -3.756 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 C5'-C4'-C3' 110.805 -3.13 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ' A' . . . . . 0.492 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 O4'-C1'-N19 111.014 2.814 . 0.066 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.492 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.948 0 C3'-C2'-C1' 104.063 2.848 . 0.13 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 1 O4'-C1'-N19 113.313 5.113 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.961 0 C5'-C4'-C3' 109.74 -3.84 . 0.123 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ' C' . . . . . 0.501 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C3'-C2'-C1' 98.523 -3.308 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . 0.479 " O4'" ' C6 ' ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.407 -3.806 0 O3'-P-O5' 98.612 -2.836 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . 0.479 ' C6 ' " O4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.419 0 C5'-C4'-C3' 111.189 -2.874 . 0.174 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.471 ' HE2' ' C2 ' ' D' ' 42' ' ' ' C' . 12.6 tpt . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 119.044 -0.503 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.489 ' C ' HD13 ' C' ' 3' ' ' ILE . 4.2 mt -140.99 137.34 32.94 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.516 0.598 . . . . 0.0 110.611 176.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.531 ' N ' HD13 ' C' ' 3' ' ' ILE . 0.7 OUTLIER -109.62 137.01 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 178.291 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -135.48 158.86 43.31 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.188 0.595 . . . . 0.0 110.788 -172.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m -134.31 134.05 41.41 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 168.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.422 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 3.8 tpm_? -142.6 161.84 37.02 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -125.08 166.66 15.99 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 119.194 0.906 . . . . 0.0 110.766 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.459 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.9 m -56.41 127.55 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.788 -170.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.23 -5.2 45.12 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 115.491 -0.777 . . . . 0.0 113.071 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -108.96 -178.9 3.7 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.182 0.991 . . . . 0.0 110.818 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 59.0 m -141.96 168.9 18.64 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -172.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 34.4 mm -139.14 164.96 24.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 126.987 2.115 . . . . 0.0 106.512 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -137.94 155.06 49.29 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.156 -0.965 . . . . 0.0 112.644 -176.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mt -140.91 148.01 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.093 0.957 . . . . 0.0 108.564 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.3 -140.82 35.5 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -129.08 10.33 5.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.698 0.799 . . . . 0.0 109.512 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -143.57 12.06 1.7 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.424 0.69 . . . . 0.0 111.594 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.84 145.36 35.82 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 118.902 0.774 . . . . 0.0 110.268 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 57.5 m -141.22 154.66 45.92 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.659 0.783 . . . . 0.0 108.949 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -134.68 143.74 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 40.0 m -139.14 146.3 40.46 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.417 HG13 ' HA ' ' C' ' 8' ' ' VAL . 0.9 OUTLIER -105.71 93.68 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.485 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -65.44 -27.51 68.57 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -173.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.459 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.08 -173.33 36.71 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-N 118.227 0.467 . . . . 0.0 112.677 177.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 m -137.74 163.01 31.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 CA-C-N 117.053 0.426 . . . . 0.0 111.095 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 64.9 m -150.53 89.76 1.59 Allowed 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 124.06 0.944 . . . . 0.0 108.773 176.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.03 -94.02 0.88 Allowed Glycine 0 C--N 1.339 0.698 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -113.88 -16.74 12.17 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 117.071 0.436 . . . . 0.0 109.841 173.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -68.96 150.4 47.75 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 73.4 t -140.49 112.7 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 105.976 -1.861 . . . . 0.0 105.976 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -83.58 127.61 33.87 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -133.74 154.74 39.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -171.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.16 154.05 20.12 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.0 mt -140.69 141.53 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -176.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -139.92 105.28 5.06 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.79 156.79 44.55 Favored Pre-proline 0 N--CA 1.452 -0.362 0 C-N-CA 123.385 0.674 . . . . 0.0 109.977 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.12 158.55 47.47 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 123.26 2.64 . . . . 0.0 110.94 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -72.39 -0.84 13.5 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.176 0.512 . . . . 0.0 110.582 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.76 -6.6 45.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.572 1.149 . . . . 0.0 110.984 174.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 20.7 m -137.46 168.6 20.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 123.284 0.634 . . . . 0.0 109.74 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.6 158.07 17.54 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.709 0.29 . . . . 0.0 111.567 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.401 HG13 HD12 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -157.93 127.75 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 173.579 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -154.36 174.52 14.73 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 123.54 0.736 . . . . 0.0 109.429 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -84.82 166.68 16.7 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 175.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -58.11 -22.71 52.04 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -172.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -73.5 -46.29 48.8 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 121.954 -0.467 . . . . 0.0 111.519 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.23 -25.53 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -176.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.496 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 78.6 t80 -61.79 -31.69 71.93 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 122.284 -0.26 . . . . 0.0 111.508 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -73.71 -21.49 60.21 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 122.195 -0.316 . . . . 0.0 111.697 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -76.27 -18.9 58.77 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 123.006 0.522 . . . . 0.0 109.611 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -99.68 -47.27 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.68 -174.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.496 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 74.2 mm-40 -68.57 3.0 2.02 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.02 -16.69 64.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.736 0.414 . . . . 0.0 111.351 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.06 16.04 0.06 OUTLIER Glycine 0 CA--C 1.529 0.933 0 CA-C-O 118.965 -0.908 . . . . 0.0 114.31 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -157.8 -176.66 6.06 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.156 1.478 . . . . 0.0 112.875 -171.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 11.7 p -144.53 10.19 1.41 Allowed 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 124.164 0.986 . . . . 0.0 110.828 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.04 121.44 3.71 Favored Pre-proline 0 N--CA 1.452 -0.344 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.78 -35.49 30.76 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 124.425 3.417 . . . . 0.0 114.195 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -173.192 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C5'-C4'-C3' 110.455 -3.363 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . 0.43 " H3'" ' C8 ' ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.657 1 C5'-C4'-C3' 108.908 -4.395 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 38' ' ' ' A' . . . . . 0.509 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.581 1 O4'-C1'-N19 112.493 4.293 . 0.124 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 39' ' ' ' G' . . . . . 0.509 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.265 0 C3'-C2'-C1' 103.551 2.279 . 0.107 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 1 O4'-C1'-N19 114.285 6.085 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 41' ' ' ' A' . . . . . 0.449 ' C8 ' HG12 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.995 0 O4'-C4'-C3' 109.138 2.599 . 0.222 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 42' ' ' ' C' . . . . . 0.619 " H1'" HD11 ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.408 -3.764 1 O4'-C1'-N19 112.577 4.377 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . 0.564 " H4'" ' C5 ' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.188 1 P-O3'-C3' 124.699 4.166 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . 0.564 ' C5 ' " H4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 C5'-C4'-O4' 113.816 3.297 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 tpt . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -139.53 152.12 46.67 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -137.3 138.44 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.07 165.66 24.47 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.614 0.766 . . . . 0.0 110.105 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.446 HG22 ' HG2' ' C' ' 29' ' ' GLN . 2.5 m -116.77 149.07 40.54 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -175.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.66 154.38 44.29 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 123.957 0.903 . . . . 0.0 109.854 -174.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -110.17 159.22 17.55 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.349 0.595 . . . . 0.0 110.486 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.423 ' HA ' HG13 ' A' ' 22' ' ' ILE . 18.4 m -59.32 136.3 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.721 -176.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.62 0.37 66.98 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.399 -0.667 . . . . 0.0 112.608 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -107.62 -178.51 3.65 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.197 0.998 . . . . 0.0 110.2 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.9 m -141.0 168.1 20.6 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -172.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.5 mt -142.34 162.51 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 126.11 1.764 . . . . 0.0 106.33 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -138.22 153.87 49.11 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 121.737 -0.602 . . . . 0.0 111.746 -173.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.0 mt -141.57 146.84 22.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.78 -141.08 29.09 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -129.48 10.92 5.74 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.382 0.673 . . . . 0.0 110.189 176.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -139.36 11.25 2.55 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.61 0.764 . . . . 0.0 111.925 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.27 144.57 37.75 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 CA-C-N 119.105 0.866 . . . . 0.0 110.939 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.5 m -141.33 156.8 45.8 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mm -134.05 144.7 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.541 1.137 . . . . 0.0 107.983 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -142.11 120.82 12.62 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.423 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.9 tp -80.23 103.65 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.75 -29.91 65.02 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.836 -0.166 . . . . 0.0 111.329 -175.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.415 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.28 -171.92 35.24 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 117.775 0.261 . . . . 0.0 112.48 177.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 m -132.95 163.58 37.54 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 CA-C-O 121.036 0.446 . . . . 0.0 111.367 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 t -151.02 89.41 1.53 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.008 0.923 . . . . 0.0 108.605 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.5 -102.85 1.33 Allowed Glycine 0 C--N 1.339 0.725 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 -177.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -105.69 -20.15 13.55 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 117.38 0.59 . . . . 0.0 109.561 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -66.98 147.58 53.04 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.9 t -136.66 115.04 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.1 ttt-85 -89.49 126.95 35.78 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -137.74 155.1 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -170.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.76 157.18 18.15 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 176.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.4 mt -140.23 143.18 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -176.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -140.15 107.15 5.43 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.42 156.97 42.46 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 123.817 0.847 . . . . 0.0 109.332 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.78 158.23 51.86 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.271 2.648 . . . . 0.0 111.117 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -71.38 -4.08 24.3 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.244 0.217 . . . . 0.0 110.471 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -69.66 -6.75 33.56 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.33 1.052 . . . . 0.0 111.17 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m -136.88 168.74 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.92 157.09 21.08 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.676 0.275 . . . . 0.0 111.069 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -155.56 129.43 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 176.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -155.71 173.07 17.27 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 123.389 0.676 . . . . 0.0 109.893 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -74.83 159.87 31.38 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 173.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -57.75 -25.21 60.12 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 122.237 -0.289 . . . . 0.0 111.206 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -68.49 -39.07 81.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.368 0.667 . . . . 0.0 111.584 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -86.21 -27.26 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.462 ' HA ' HG12 ' A' ' 51' ' ' ILE . 81.1 t80 -57.17 -29.86 64.01 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.725 0.41 . . . . 0.0 111.716 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -69.36 -21.18 63.83 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.0 0.52 . . . . 0.0 111.437 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -84.71 -22.43 29.75 Favored 'General case' 0 C--N 1.339 0.141 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.462 HG12 ' HA ' ' A' ' 48' ' ' TYR . 7.5 mm -73.06 -57.45 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.456 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 85.3 mm-40 -70.29 3.24 3.02 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.197 0.999 . . . . 0.0 112.391 -174.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.83 -13.85 62.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 122.738 0.415 . . . . 0.0 111.523 176.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.29 15.29 0.06 OUTLIER Glycine 0 CA--C 1.527 0.8 0 CA-C-O 119.475 -0.625 . . . . 0.0 113.447 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -157.72 -170.16 3.1 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.507 1.154 . . . . 0.0 112.045 -171.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.8 m -140.72 -3.21 1.3 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.483 0.713 . . . . 0.0 110.398 173.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.68 122.42 4.7 Favored Pre-proline 0 N--CA 1.451 -0.41 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -50.45 175.79 0.04 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 124.753 3.635 . . . . 0.0 113.528 172.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.532 0.272 0 C-N-CA 124.119 0.968 . . . . 0.0 113.095 -176.952 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . 0.496 " H3'" ' C6 ' ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.625 1 C3'-C2'-C1' 105.172 4.08 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . 0.585 H5'' ' C6 ' ' B' ' 37' ' ' ' C' . . . . . . . . 0 P--O5' 1.624 3.094 0 O4'-C1'-N19 111.606 3.406 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ' A' . . . . . 0.521 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.805 3.605 . 0.118 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.521 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 P-O3'-C3' 122.396 2.247 . 0.049 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . 0.426 " H4'" H5'' ' B' ' 41' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.58 1 O4'-C1'-N19 113.376 5.176 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ' A' . . . . . 0.426 H5'' " H4'" ' B' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.397 0 C5'-C4'-C3' 110.206 -3.529 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ' C' . . . . . 0.547 " H4'" " H5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.932 0 N19-C1'-C2' 107.406 -3.746 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . 0.583 ' C5 ' " H1'" ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 N19-C1'-C2' 119.051 3.532 . 0.01 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . 0.583 " H1'" ' C5 ' ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.61 2 C5'-C4'-C3' 106.934 -5.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpt . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.4 ' C ' HD12 ' C' ' 3' ' ' ILE . 4.8 mt -136.25 155.24 50.4 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.469 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 4.5 mp -135.83 146.97 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.1 mt -146.71 165.66 28.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.123 0.969 . . . . 0.0 110.068 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -139.13 100.07 3.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 173.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.44 ' HD3' HD11 ' C' ' 12' ' ' ILE . 0.0 OUTLIER -127.51 164.24 22.37 Favored 'General case' 0 C--O 1.227 -0.107 0 C-N-CA 122.43 0.292 . . . . 0.0 110.444 176.377 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -115.35 175.54 5.47 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 123.007 0.523 . . . . 0.0 111.492 -169.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.74 142.74 11.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.55 -9.06 75.09 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.504 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' GLU . . . . . 0.468 ' HG3' ' H ' ' C' ' 11' ' ' SER . 8.3 tp10 -85.7 179.72 7.02 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 117.705 0.752 . . . . 0.0 110.249 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.468 ' H ' ' HG3' ' C' ' 10' ' ' GLU . 67.9 m -148.05 164.29 34.29 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.272 0.629 . . . . 0.0 110.983 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.44 HD11 ' HD3' ' C' ' 6' ' ' ARG . 51.8 mt -143.29 164.13 15.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -138.38 155.6 48.37 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 121.36 -0.837 . . . . 0.0 112.651 -175.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 49.2 mt -141.55 148.26 21.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 C-N-CA 124.212 1.005 . . . . 0.0 108.668 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.36 -141.04 38.81 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -129.75 10.44 5.56 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.652 0.781 . . . . 0.0 109.482 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -143.12 11.28 1.76 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.453 0.701 . . . . 0.0 111.645 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.07 144.69 37.4 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 CA-C-N 118.984 0.811 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 49.1 m -140.24 154.58 46.91 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -130.43 144.38 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 41.0 m -142.37 146.87 35.4 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -105.87 103.32 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.07 -24.68 62.37 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.049 -0.661 . . . . 0.0 109.96 -177.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.48 -169.57 32.24 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 112.239 -0.344 . . . . 0.0 112.239 173.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 15.5 m -131.84 164.9 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 CA-C-O 121.16 0.505 . . . . 0.0 111.246 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.2 m -150.24 85.26 1.39 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -129.72 21.09 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -175.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -77.99 -13.29 59.93 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.05 0.425 . . . . 0.0 110.335 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.446 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.2 OUTLIER -81.5 148.99 28.93 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.805 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 85.8 t -139.58 118.88 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 -175.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -95.33 126.57 40.73 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.3 155.35 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.249 -169.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.47 155.14 20.7 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -140.19 143.36 29.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -175.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -139.15 105.28 5.22 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -174.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.75 157.61 43.86 Favored Pre-proline 0 N--CA 1.45 -0.435 0 C-N-CA 123.908 0.883 . . . . 0.0 109.594 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -62.98 158.09 45.24 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 123.194 2.596 . . . . 0.0 110.752 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -68.39 -0.68 5.18 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-O 121.223 0.535 . . . . 0.0 110.222 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.21 -11.78 59.86 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.219 1.408 . . . . 0.0 111.144 173.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 m -139.04 168.36 19.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 123.477 0.711 . . . . 0.0 110.032 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.33 158.64 16.72 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.921 -177.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -158.25 126.9 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -158.73 170.11 22.88 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 120.847 0.356 . . . . 0.0 111.429 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.436 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 24.8 ttp-105 -68.68 153.11 44.38 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 169.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -13.68 32.32 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.588 0.631 . . . . 0.0 111.9 -177.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 46' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 45.8 tt0 -70.94 -36.92 72.82 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.911 0.484 . . . . 0.0 110.566 177.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 mm -91.31 -25.23 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.511 ' HA ' HG12 ' C' ' 51' ' ' ILE . 78.3 t80 -59.67 -28.4 67.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.05 0.54 . . . . 0.0 111.549 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -70.38 -19.54 63.01 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.882 0.473 . . . . 0.0 111.277 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -86.26 -22.04 27.04 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 174.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.511 HG12 ' HA ' ' C' ' 48' ' ' TYR . 9.0 mm -72.61 -56.43 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.419 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 86.2 mm-40 -70.37 3.24 3.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.056 0.942 . . . . 0.0 112.253 -174.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.84 -13.15 62.13 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.755 0.422 . . . . 0.0 111.467 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.26 15.37 0.05 OUTLIER Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.404 -0.665 . . . . 0.0 113.78 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -158.36 -168.39 2.44 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.483 1.141 . . . . 0.0 111.489 -171.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 5.6 m -141.98 -2.97 1.13 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.579 0.352 . . . . 0.0 110.995 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.28 119.38 2.91 Favored Pre-proline 0 N--CA 1.452 -0.374 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.31 154.86 5.41 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 124.207 3.271 . . . . 0.0 113.453 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 CA--C 1.535 0.372 0 C-N-CA 124.305 1.042 . . . . 0.0 112.509 176.426 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C5'-C4'-C3' 110.557 -3.296 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.916 0 C5'-C4'-C3' 110.86 -3.093 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 38' ' ' ' A' . . . . . 0.411 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.872 1 C5'-C4'-C3' 109.432 -4.045 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' D' D ' 39' ' ' ' G' . . . . . 0.411 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C3'-C2'-C1' 103.567 2.297 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 1 O4'-C1'-N19 112.926 4.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 C5'-C4'-C3' 109.55 -3.966 . 0.107 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 42' ' ' ' C' . . . . . 0.477 " C3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.004 0 O4'-C1'-N19 112.033 3.833 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . 0.477 H5'' " C3'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.406 -3.912 0 O3'-P-O5' 99.19 -2.531 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . 0.465 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C5'-C4'-C3' 110.758 -3.161 . 0.189 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 tpt . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mt -136.84 156.12 48.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.48 HG22 ' H62' ' B' ' 43' ' ' ' A' . 4.9 mp -134.42 145.26 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 174.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -143.54 165.84 26.46 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.998 0.919 . . . . 0.0 109.441 -177.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.33 96.41 3.72 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 173.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -98.64 163.09 12.79 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.429 1.491 . . . . 0.0 108.508 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -130.24 169.43 15.4 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 119.61 1.096 . . . . 0.0 110.619 171.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.452 ' HA ' HG13 ' A' ' 22' ' ' ILE . 7.7 m -58.45 133.06 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -169.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.68 -0.51 61.17 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.678 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -106.22 -179.12 3.85 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.244 1.022 . . . . 0.0 110.96 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.1 m -144.23 168.41 20.13 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -173.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.4 mt -141.21 165.71 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 125.853 1.661 . . . . 0.0 106.632 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -138.39 153.65 48.91 Favored 'General case' 0 C--O 1.228 -0.062 0 CA-C-N 118.695 0.68 . . . . 0.0 111.712 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.7 mt -140.5 147.32 23.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.16 -141.23 34.17 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -130.02 10.96 5.5 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.147 0.579 . . . . 0.0 110.206 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -139.66 12.18 2.5 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.785 0.834 . . . . 0.0 111.826 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.77 146.92 33.37 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-N 119.059 0.845 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.2 m -141.11 155.74 46.08 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.737 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.1 mm -135.34 146.33 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.5 m -142.65 146.59 34.62 Favored 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.452 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.2 tp -105.52 96.33 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.81 -27.04 66.39 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.595 -172.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.428 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 156.04 -170.82 33.82 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 112.008 -0.437 . . . . 0.0 112.008 176.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -133.33 161.21 41.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 CA-C-N 117.446 0.623 . . . . 0.0 112.069 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.2 m -150.04 89.47 1.6 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.165 1.386 . . . . 0.0 107.834 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.72 -137.3 28.58 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 -175.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -72.3 -18.29 61.8 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.856 0.828 . . . . 0.0 109.96 175.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.47 149.55 45.74 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -140.58 116.22 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -86.26 123.38 31.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -130.18 155.13 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -172.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.17 159.33 23.04 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.9 mt -139.97 142.36 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.404 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -139.97 105.83 5.17 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -176.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.03 157.26 43.44 Favored Pre-proline 0 N--CA 1.452 -0.375 0 C-N-CA 123.795 0.838 . . . . 0.0 109.46 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.64 158.78 48.36 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.181 2.587 . . . . 0.0 110.793 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -69.47 -0.8 7.07 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 121.474 0.654 . . . . 0.0 110.196 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -66.67 -10.75 49.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.945 1.298 . . . . 0.0 111.015 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -137.8 168.56 20.37 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 C-N-CA 123.48 0.712 . . . . 0.0 109.766 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.93 153.92 22.88 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.287 0.235 . . . . 0.0 111.012 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -156.11 124.58 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -152.51 168.89 24.06 Favored 'General case' 0 N--CA 1.458 -0.032 0 C-N-CA 122.789 0.436 . . . . 0.0 110.248 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 ttp85 -72.18 155.18 40.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -57.69 -23.75 53.24 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.521 0.201 . . . . 0.0 110.68 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -68.23 -50.53 53.39 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.179 0.592 . . . . 0.0 110.877 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.0 mm -74.75 -26.96 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 122.754 0.421 . . . . 0.0 110.838 -174.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.499 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 83.7 t80 -61.48 -28.42 69.28 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.278 0.631 . . . . 0.0 111.773 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -73.54 -21.47 60.36 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.778 0.431 . . . . 0.0 111.696 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -76.64 -19.18 58.08 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.8 mt -99.43 -47.9 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.592 -172.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.499 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 72.4 mm-40 -69.41 3.14 2.46 Favored 'General case' 0 CA--C 1.528 0.104 0 O-C-N 121.873 -0.517 . . . . 0.0 111.738 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.49 -16.39 63.61 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 122.251 -0.28 . . . . 0.0 111.387 174.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.02 17.78 0.07 OUTLIER Glycine 0 CA--C 1.528 0.872 0 CA-C-O 118.998 -0.89 . . . . 0.0 113.791 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -158.1 -179.26 7.96 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.139 1.469 . . . . 0.0 112.951 -170.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.1 p -146.67 8.18 0.99 Allowed 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.324 1.05 . . . . 0.0 110.474 172.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.93 124.79 4.75 Favored Pre-proline 0 N--CA 1.452 -0.366 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -50.29 171.4 0.1 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 124.438 3.425 . . . . 0.0 114.389 174.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.455 -0.176 0 C-N-CA 124.018 0.927 . . . . 0.0 112.635 -177.717 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . 0.403 ' H6 ' " H2'" ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.011 0 C5'-C4'-C3' 110.535 -3.31 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 O5'-C5'-C4' 112.892 1.923 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ' A' . . . . . 0.471 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.809 0 O4'-C1'-N19 111.586 3.386 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.471 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.928 0 P-O3'-C3' 122.194 2.079 . 0.123 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 1 O4'-C1'-N19 112.537 4.337 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C5'-C4'-C3' 110.291 -3.473 . 0.114 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ' C' . . . . . 0.431 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C4'-C3'-C2' 99.75 -2.95 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . 0.48 ' H62' HG22 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.877 1 O4'-C1'-N19 112.512 4.312 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.824 0 C5'-C4'-O4' 113.253 2.895 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.454 ' CD2' " H1'" ' D' ' 39' ' ' ' G' . 4.2 mt -139.97 152.24 46.15 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 176.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.424 ' C ' HD22 ' C' ' 4' ' ' LEU . 4.5 mp -136.87 139.69 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.436 HD13 ' C2 ' ' D' ' 38' ' ' ' A' . 4.3 mm? -131.59 162.41 30.4 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.744 1.218 . . . . 0.0 108.394 -178.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -136.82 87.57 2.3 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 172.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.647 HH21 HG22 ' C' ' 22' ' ' ILE . 8.8 ttp180 -104.69 177.25 4.9 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 125.352 1.461 . . . . 0.0 109.946 -173.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -134.76 170.86 15.2 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 118.668 0.667 . . . . 0.0 111.959 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.478 ' HA ' HG13 ' C' ' 22' ' ' ILE . 6.2 m -56.07 134.08 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.921 -173.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.12 -11.93 63.81 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 115.556 -0.747 . . . . 0.0 113.021 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -88.89 179.29 6.22 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.291 1.045 . . . . 0.0 111.504 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -145.95 165.35 29.22 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.417 HG22 ' N ' ' C' ' 13' ' ' ASN . 36.8 mm -141.99 167.56 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.928 1.691 . . . . 0.0 107.76 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ASN . . . . . 0.417 ' N ' HG22 ' C' ' 12' ' ' ILE . 20.7 m120 -135.86 153.5 51.46 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-O 121.136 0.493 . . . . 0.0 111.922 -177.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.6 mt -138.96 147.48 24.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.93 -139.35 33.04 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -130.52 11.78 5.35 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.337 0.655 . . . . 0.0 110.292 176.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -140.18 11.15 2.37 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.869 0.867 . . . . 0.0 112.007 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.22 145.28 35.57 Favored 'Isoleucine or valine' 0 C--N 1.342 0.25 0 CA-C-N 118.942 0.792 . . . . 0.0 110.586 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 51.3 m -140.53 153.35 46.13 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.817 0.847 . . . . 0.0 108.828 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -133.66 144.89 34.55 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 38.6 m -140.19 147.01 39.47 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.647 HG22 HH21 ' C' ' 6' ' ' ARG . 2.4 tp -105.27 97.54 5.73 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.431 HD13 " H1'" ' B' ' 42' ' ' ' C' . 13.8 mt -68.58 -27.32 65.95 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -173.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.439 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 157.07 -173.2 34.67 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 118.02 0.373 . . . . 0.0 112.481 175.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.5 m -135.11 163.36 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 117.157 0.478 . . . . 0.0 111.476 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 29.1 t -151.85 89.81 1.49 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.873 0.869 . . . . 0.0 109.269 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.15 -92.7 0.95 Allowed Glycine 0 C--N 1.338 0.645 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -113.43 -19.02 11.86 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 122.858 0.463 . . . . 0.0 109.99 173.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -68.97 147.28 51.86 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -138.01 106.53 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -82.48 125.63 31.31 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mt -128.89 155.34 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -171.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.42 154.27 19.92 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 57.1 mt -140.57 144.08 27.94 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -140.49 107.11 5.33 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -175.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.82 157.02 41.15 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 123.738 0.815 . . . . 0.0 109.969 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.12 158.08 53.89 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.152 2.568 . . . . 0.0 111.231 175.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' C' ' 38' ' ' LYS . 3.2 mmmp? -71.91 -1.73 15.41 Favored 'General case' 0 CA--C 1.524 -0.043 0 N-CA-C 110.48 -0.192 . . . . 0.0 110.48 175.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.12 -6.52 34.6 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.06 0.944 . . . . 0.0 111.028 173.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.59 168.65 19.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 123.882 0.873 . . . . 0.0 109.198 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.53 155.91 22.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.154 -0.341 . . . . 0.0 111.078 -175.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -156.01 127.42 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 174.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -156.7 171.49 20.27 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 124.123 0.969 . . . . 0.0 108.952 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -82.52 166.03 19.64 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -57.33 -24.22 53.74 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -172.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -69.3 -47.18 65.25 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.869 0.366 . . . . 0.0 111.127 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm -77.62 -25.9 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.383 -172.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.455 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 80.0 t80 -60.56 -30.36 69.74 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 122.528 0.331 . . . . 0.0 111.553 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -72.91 -21.83 60.84 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.212 -0.305 . . . . 0.0 111.427 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -82.09 -18.52 42.74 Favored 'General case' 0 CA--C 1.523 -0.091 0 C-N-CA 123.048 0.539 . . . . 0.0 109.97 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 90.6 mt -99.2 -35.32 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 C-N-CA 123.312 0.645 . . . . 0.0 110.338 -173.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.455 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 77.7 mm-40 -82.99 3.29 30.77 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.258 0.223 . . . . 0.0 110.599 175.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.82 -20.38 65.75 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.81 27.49 0.06 OUTLIER Glycine 0 CA--C 1.528 0.89 0 CA-C-O 118.735 -1.036 . . . . 0.0 114.11 178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.41 -30.28 0.2 Allowed 'General case' 0 C--N 1.338 0.091 0 N-CA-C 115.282 1.586 . . . . 0.0 115.282 -173.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 3.9 m 32.87 45.75 0.07 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.933 0.893 . . . . 0.0 112.67 -171.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.18 69.46 18.0 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 123.168 0.587 . . . . 0.0 110.758 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -49.05 169.27 0.1 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 124.506 3.471 . . . . 0.0 114.603 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.531 0.219 0 C-N-CA 124.25 1.02 . . . . 0.0 113.181 -176.395 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C5'-C4'-C3' 111.066 -2.956 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 O5'-C5'-C4' 113.735 2.525 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 38' ' ' ' A' . . . . . 0.484 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.88 0 O4'-C1'-N19 110.55 2.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 39' ' ' ' G' . . . . . 0.484 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.974 0 C3'-C2'-C1' 103.381 2.09 . 0.092 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 1 O4'-C1'-N19 112.84 4.64 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.396 0 C5'-C4'-C3' 109.895 -3.736 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 42' ' ' ' C' . . . . . 0.404 " H4'" HD13 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.423 -2.487 1 O4'-C1'-N19 112.353 4.153 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 C4'-C3'-C2' 100.562 -2.138 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 N19-C1'-C2' 108.629 -2.982 . 0.408 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mt -138.39 151.18 47.25 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.474 ' CD1' " H4'" ' B' ' 42' ' ' ' C' . 4.5 mp -133.79 146.77 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 177.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -146.84 166.24 27.28 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 123.877 0.871 . . . . 0.0 109.838 -175.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -130.84 96.26 4.03 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 172.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -104.31 162.02 13.56 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.33 1.052 . . . . 0.0 108.444 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -124.36 168.77 12.56 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 119.594 1.088 . . . . 0.0 111.058 175.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.435 ' HA ' HG13 ' A' ' 22' ' ' ILE . 10.2 m -57.05 135.23 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.533 -170.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.03 -3.01 66.63 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.616 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -102.53 -179.47 3.98 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 117.919 0.859 . . . . 0.0 110.426 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.7 m -142.69 168.24 20.18 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-O 121.553 0.692 . . . . 0.0 112.785 -173.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -144.01 165.57 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.899 1.68 . . . . 0.0 106.68 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -141.5 156.97 45.7 Favored 'General case' 0 N--CA 1.461 0.081 0 CA-C-N 118.979 0.809 . . . . 0.0 112.11 -175.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.1 mt -141.4 149.72 20.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 123.95 0.9 . . . . 0.0 108.911 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.62 -140.41 33.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -129.56 10.64 5.67 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.549 0.74 . . . . 0.0 110.305 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -141.36 11.5 2.13 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 123.897 0.879 . . . . 0.0 112.035 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -127.77 146.13 33.93 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 CA-C-N 119.419 1.008 . . . . 0.0 110.924 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.7 m -140.51 155.89 46.5 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.897 0.879 . . . . 0.0 108.87 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -136.35 147.72 27.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 C-N-CA 124.514 1.125 . . . . 0.0 108.113 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -142.64 146.33 34.38 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.435 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.2 tp -105.41 90.77 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mt -62.96 -29.48 70.84 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -172.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.55 -170.03 35.72 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-N 118.407 0.549 . . . . 0.0 112.238 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -135.33 160.91 40.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 117.112 0.456 . . . . 0.0 111.436 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -150.25 89.37 1.58 Allowed 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.23 -135.01 29.31 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -74.15 -19.14 60.66 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 117.893 0.846 . . . . 0.0 109.999 176.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.4 150.19 46.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.5 t -139.46 119.28 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -85.86 129.15 34.91 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -133.3 155.15 40.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -171.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.91 154.69 21.26 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.5 mt -140.31 142.87 30.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -140.46 107.02 5.31 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.5 157.63 44.61 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.78 0.832 . . . . 0.0 109.241 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.54 159.4 44.77 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.948 2.432 . . . . 0.0 111.108 175.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 11.2 mmmm -70.68 -0.37 8.63 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-O 121.094 0.473 . . . . 0.0 110.014 172.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.45 -11.57 58.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.837 1.255 . . . . 0.0 110.758 173.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -138.98 168.62 18.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.203 1.001 . . . . 0.0 109.609 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.13 157.08 20.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 122.278 -0.264 . . . . 0.0 111.211 -176.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -155.88 127.6 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -155.03 173.51 16.47 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 122.906 0.482 . . . . 0.0 110.445 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -70.04 156.4 39.21 Favored 'General case' 0 N--CA 1.458 -0.061 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 174.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -58.23 -23.31 55.4 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.627 0.251 . . . . 0.0 110.786 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -68.6 -48.63 63.65 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.087 0.555 . . . . 0.0 110.663 178.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.4 mm -76.59 -25.64 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 CA-C-O 120.844 0.354 . . . . 0.0 110.371 -174.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.513 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 80.3 t80 -61.38 -28.41 69.22 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.452 0.701 . . . . 0.0 111.535 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -73.3 -21.61 60.54 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 121.98 -0.45 . . . . 0.0 111.677 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -76.5 -19.19 58.24 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.6 mt -99.31 -46.6 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 C-N-CA 122.774 0.43 . . . . 0.0 110.607 -172.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.513 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 75.6 mm-40 -69.48 2.26 3.26 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 122.102 -0.374 . . . . 0.0 111.892 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.05 -16.26 63.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 122.698 0.399 . . . . 0.0 111.443 174.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.55 19.21 0.07 OUTLIER Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.082 -0.843 . . . . 0.0 114.572 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -159.16 -175.92 5.53 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.85 1.325 . . . . 0.0 112.705 -170.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.3 p -144.58 14.9 1.6 Allowed 'General case' 0 C--O 1.231 0.106 0 C-N-CA 124.573 1.149 . . . . 0.0 110.955 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.84 125.29 6.22 Favored Pre-proline 0 N--CA 1.452 -0.366 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -45.9 -31.52 8.24 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 124.786 3.657 . . . . 0.0 114.277 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.446 -0.647 0 CA-C-O 120.883 0.373 . . . . 0.0 110.582 -175.866 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C5'-C4'-C3' 110.303 -3.464 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 O4'-C1'-N19 110.864 2.664 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ' A' . . . . . 0.572 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 110.974 2.774 . 0.046 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.572 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 P-O3'-C3' 122.489 2.324 . 0.079 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 2 O4'-C1'-N19 114.969 6.769 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.971 0 C5'-C4'-C3' 109.597 -3.935 . 0.135 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ' C' . . . . . 0.477 " C3'" H5'' ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 O4'-C1'-N19 111.735 3.535 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . 0.484 " O4'" ' C6 ' ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.405 -3.963 0 O3'-P-O5' 99.774 -2.224 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . 0.484 ' C6 ' " O4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C5'-C4'-C3' 110.901 -3.066 . 0.177 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.4 tpt . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 119.434 -0.317 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mt -136.92 153.33 50.75 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.498 HD11 " C5'" ' D' ' 42' ' ' ' C' . 4.5 mp -138.29 146.15 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.3 mt -145.53 167.1 23.83 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.836 0.854 . . . . 0.0 109.639 -176.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -137.07 90.31 2.52 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.401 ' CD ' HD11 ' C' ' 12' ' ' ILE . 1.2 mmp_? -104.68 166.37 10.43 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 124.986 1.314 . . . . 0.0 109.591 -175.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -124.71 171.0 10.44 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 118.866 0.757 . . . . 0.0 111.589 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.463 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.4 m -56.51 132.43 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.372 -170.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.14 -15.11 55.11 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.206 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -86.01 177.72 7.49 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.153 0.977 . . . . 0.0 111.618 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -145.99 163.74 34.26 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.149 0.58 . . . . 0.0 111.347 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.401 HD11 ' CD ' ' C' ' 6' ' ' ARG . 40.6 mm -141.54 165.85 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 125.986 1.714 . . . . 0.0 107.069 -178.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -137.92 154.63 49.41 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 118.982 0.81 . . . . 0.0 112.353 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 48.4 mt -141.09 148.28 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.049 0.94 . . . . 0.0 108.624 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.0 -140.68 38.39 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -129.99 10.59 5.47 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 123.758 0.823 . . . . 0.0 109.658 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -142.31 11.4 1.93 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.343 0.657 . . . . 0.0 111.762 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -128.72 147.25 33.19 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 CA-C-N 118.83 0.741 . . . . 0.0 110.585 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 35.6 m -141.03 157.26 45.56 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -135.05 148.05 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 27.4 m -143.81 145.2 32.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.43 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.3 tp -106.06 95.68 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.9 -28.53 66.76 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.199 -0.313 . . . . 0.0 111.519 -172.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.75 -173.6 37.28 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 117.918 0.326 . . . . 0.0 112.793 178.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -133.66 161.46 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-O 121.17 0.51 . . . . 0.0 111.58 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -150.2 89.26 1.57 Allowed 'General case' 0 C--O 1.231 0.082 0 C-N-CA 124.692 1.197 . . . . 0.0 108.491 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.33 -102.97 1.24 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -106.68 -19.14 13.75 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 117.198 0.499 . . . . 0.0 109.702 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -69.54 146.99 51.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -136.17 117.73 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -79.3 117.94 20.77 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 176.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -124.9 153.26 31.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -176.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.44 156.44 21.84 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.8 mt -140.79 139.09 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -135.2 98.63 4.03 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.32 0.581 . . . . 0.0 109.805 -173.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.37 153.98 59.89 Favored Pre-proline 0 N--CA 1.448 -0.566 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.761 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.51 152.18 78.9 Favored 'Trans proline' 0 N--CA 1.443 -1.466 0 C-N-CA 122.213 1.942 . . . . 0.0 110.049 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -7.01 9.42 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 121.217 0.532 . . . . 0.0 110.995 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.69 -9.34 19.17 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.702 1.601 . . . . 0.0 112.04 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -133.81 167.56 26.02 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.19 153.6 20.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.558 -174.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -158.84 129.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 123.173 0.589 . . . . 0.0 109.5 174.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -155.37 173.14 17.08 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.39 0.676 . . . . 0.0 109.548 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -76.62 166.73 22.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -59.57 -25.12 64.31 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -174.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -66.67 -52.84 40.32 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 120.878 0.371 . . . . 0.0 110.669 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.3 mm -73.02 -30.18 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.556 -173.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -56.67 -27.89 59.6 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -63.34 -14.23 47.7 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.335 0.654 . . . . 0.0 112.063 -177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -86.89 -41.93 13.61 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.056 0.389 . . . . 0.0 110.489 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.401 HG22 ' N ' ' C' ' 52' ' ' GLN . 1.5 mp -56.41 -63.69 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 C-N-CA 125.319 1.448 . . . . 0.0 113.978 -168.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.401 ' N ' HG22 ' C' ' 51' ' ' ILE . 0.0 OUTLIER -71.46 0.44 8.34 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.325 0.65 . . . . 0.0 112.546 -176.298 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.43 -16.78 62.98 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.712 -0.617 . . . . 0.0 111.4 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.63 26.92 0.4 Allowed Glycine 0 CA--C 1.524 0.649 0 CA-C-O 118.84 -0.978 . . . . 0.0 113.425 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.88 -30.84 0.35 Allowed 'General case' 0 C--O 1.23 0.074 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -172.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 7.1 m 44.18 22.7 0.05 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.0 0.92 . . . . 0.0 113.193 -173.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.33 94.67 2.36 Favored Pre-proline 0 N--CA 1.453 -0.294 0 C-N-CA 123.388 0.675 . . . . 0.0 109.548 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -50.2 152.28 8.25 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.819 3.013 . . . . 0.0 114.12 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 CA--C 1.538 0.513 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 170.701 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 C4'-C3'-C2' 99.187 -3.513 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C5'-C4'-C3' 111.438 -2.708 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 38' ' ' ' A' . . . . . 0.551 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 O4'-C1'-N19 110.573 2.373 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 39' ' ' ' G' . . . . . 0.551 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C3'-C2'-C1' 103.577 2.307 . 0.109 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 1 O4'-C1'-N19 113.252 5.052 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.36 0 C3'-C2'-C1' 104.614 3.46 . 0.151 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 42' ' ' ' C' . . . . . 0.579 " C3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.987 0 O5'-C5'-C4' 115.463 3.759 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . 0.579 H5'' " C3'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.053 2 O4'-C1'-N19 114.136 5.936 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . 0.445 ' C6 ' " H2'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 C5'-C4'-O4' 114.092 3.494 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.507 -0.282 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 mt -140.53 151.44 44.76 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.674 0.389 . . . . 0.0 110.103 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.435 ' CD1' ' C8 ' ' B' ' 41' ' ' ' A' . 5.0 mp -131.64 145.41 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -146.69 165.79 28.53 Favored 'General case' 0 C--O 1.23 0.075 0 C-N-CA 123.81 0.844 . . . . 0.0 110.449 -173.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.94 96.62 3.96 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-O 121.656 0.741 . . . . 0.0 109.579 173.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -99.22 163.04 12.72 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.168 1.787 . . . . 0.0 108.747 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -127.54 168.81 14.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.895 1.225 . . . . 0.0 110.568 171.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.448 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 8.3 m -57.61 133.66 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 121.491 0.662 . . . . 0.0 111.999 -170.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.88 -1.06 63.04 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.581 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -105.98 179.4 4.28 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 117.944 0.872 . . . . 0.0 110.341 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.1 m -142.75 168.53 19.49 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -172.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.7 mt -142.79 165.69 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.035 1.734 . . . . 0.0 106.788 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -139.85 155.24 47.33 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 119.393 0.997 . . . . 0.0 112.082 -175.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.4 mt -140.31 148.11 22.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 123.969 0.907 . . . . 0.0 108.943 177.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.71 -138.97 32.8 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -129.71 10.26 5.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.11 0.564 . . . . 0.0 109.884 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -140.83 10.99 2.23 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 123.367 0.667 . . . . 0.0 111.67 -177.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -129.32 145.56 35.56 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 CA-C-N 118.993 0.815 . . . . 0.0 110.418 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.4 m -140.76 156.45 46.18 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.6 mm -134.76 148.8 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.4 m -144.01 147.24 33.61 Favored 'General case' 0 N--CA 1.457 -0.086 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.444 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.1 tp -107.19 92.26 2.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.3 -26.46 68.07 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -173.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.448 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.69 -173.16 36.38 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 118.15 0.432 . . . . 0.0 112.856 175.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -137.38 162.1 33.58 Favored 'Isoleucine or valine' 0 C--N 1.34 0.164 0 C-N-CA 122.696 0.398 . . . . 0.0 110.966 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -150.47 89.57 1.58 Allowed 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.887 0.875 . . . . 0.0 108.658 176.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.49 -102.47 1.5 Allowed Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 -177.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -105.42 -15.94 14.88 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 117.339 0.57 . . . . 0.0 109.68 174.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -69.28 147.31 51.37 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -141.21 109.54 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -85.16 124.39 31.77 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -128.61 155.42 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -171.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.24 155.5 20.39 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 109.791 -1.323 . . . . 0.0 109.791 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.1 mt -140.39 131.43 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -130.45 99.38 4.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.284 0.564 . . . . 0.0 110.052 -173.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.34 154.78 64.37 Favored Pre-proline 0 N--CA 1.448 -0.572 0 C-N-CA 124.143 0.977 . . . . 0.0 108.562 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.428 ' C ' ' H ' ' A' ' 39' ' ' ASP . 21.8 Cg_endo -60.08 154.96 47.72 Favored 'Trans proline' 0 N--CA 1.443 -1.457 0 C-N-CA 122.13 1.887 . . . . 0.0 109.985 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.85 -3.11 2.19 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.039 0.447 . . . . 0.0 109.903 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 37' ' ' PRO . 19.1 t70 -70.09 -13.58 62.27 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.984 2.114 . . . . 0.0 112.48 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.57 167.51 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.113 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.9 150.84 22.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.676 0.274 . . . . 0.0 110.963 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.47 128.6 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 174.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -153.98 173.15 16.37 Favored 'General case' 0 CA--C 1.527 0.081 0 C-N-CA 122.927 0.491 . . . . 0.0 109.906 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.2 mtm105 -75.14 162.8 28.19 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.68 -23.5 64.89 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.317 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -71.84 -34.5 69.33 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.723 0.409 . . . . 0.0 111.463 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -91.31 -30.22 4.79 Favored 'Isoleucine or valine' 0 C--N 1.337 0.057 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -176.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -55.55 -28.49 55.19 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -63.35 -13.21 36.69 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 124.026 0.93 . . . . 0.0 112.427 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -86.48 -38.96 16.75 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 118.075 0.398 . . . . 0.0 110.797 173.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -63.8 -63.97 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.064 0 C-N-CA 124.155 0.982 . . . . 0.0 113.237 -168.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -1.76 3.2 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -176.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -14.86 62.99 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 118.222 0.464 . . . . 0.0 110.729 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.03 21.84 0.85 Allowed Glycine 0 CA--C 1.526 0.722 0 CA-C-O 119.506 -0.608 . . . . 0.0 112.799 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.431 HD12 ' C ' ' A' ' 55' ' ' LEU . 4.3 pp -154.68 179.38 9.12 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.406 1.103 . . . . 0.0 112.881 -169.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 42.1 p -145.13 3.13 1.03 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.539 0.735 . . . . 0.0 110.632 175.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.32 79.29 5.02 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.741 0.816 . . . . 0.0 109.88 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -46.71 -37.31 20.7 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 124.377 3.385 . . . . 0.0 114.162 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.1 t0 . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -176.051 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . 0.433 H5'' ' C6 ' ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 C5'-C4'-C3' 110.873 -3.085 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . 0.413 ' C6 ' " H5'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.033 0 O4'-C1'-N19 110.254 2.054 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ' A' . . . . . 0.502 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.777 1 O4'-C1'-N19 112.212 4.012 . 0.04 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.502 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 C3'-C2'-C1' 103.644 2.382 . 0.096 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.451 3 O4'-C1'-N19 115.923 7.723 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ' A' . . . . . 0.435 ' C8 ' ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 C5'-C4'-C3' 110.823 -3.118 . 0.141 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ' C' . . . . . 0.54 " H1'" ' CD1' ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 O4'-C1'-N19 111.805 3.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . 0.548 " O4'" " H3'" ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.409 -3.681 0 O3'-P-O5' 99.379 -2.432 OUTLIER-EPSILON 0.141 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . 0.548 " H3'" " O4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.288 1 P-O3'-C3' 125.574 4.895 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mt -140.35 156.06 46.56 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.43 HG22 ' H62' ' D' ' 43' ' ' ' A' . 4.8 mp -137.27 147.59 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 176.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -145.26 165.61 27.91 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.919 0.888 . . . . 0.0 110.087 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.38 96.63 3.3 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.36 178.64 4.5 Favored 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 123.894 0.878 . . . . 0.0 109.325 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -128.67 172.42 11.25 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.877 0.308 . . . . 0.0 110.975 172.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.6 131.16 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 121.232 0.539 . . . . 0.0 112.114 -172.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.24 -7.88 58.67 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.329 175.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -92.05 -179.98 5.42 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 117.926 0.863 . . . . 0.0 110.705 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -142.39 166.14 25.49 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -173.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 50.3 mt -144.42 166.95 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 125.736 1.614 . . . . 0.0 107.004 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -141.61 156.07 45.69 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.118 0.872 . . . . 0.0 112.641 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 43.7 mt -143.36 149.15 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 124.248 1.019 . . . . 0.0 108.861 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.58 -141.26 35.71 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -129.13 10.16 5.8 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.622 0.769 . . . . 0.0 109.912 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -142.45 10.38 1.86 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.316 0.646 . . . . 0.0 111.485 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.29 145.93 34.6 Favored 'Isoleucine or valine' 0 C--N 1.341 0.225 0 CA-C-N 118.639 0.654 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -140.13 157.04 46.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.9 mm -135.18 148.69 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 10.9 m -142.61 153.78 43.79 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.73 94.9 3.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.54 ' CD1' " H1'" ' B' ' 42' ' ' ' C' . 8.1 mt -67.47 -29.84 69.39 Favored 'General case' 0 C--N 1.341 0.227 0 O-C-N 121.716 -0.615 . . . . 0.0 112.601 -169.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.66 -172.1 38.64 Favored Glycine 0 C--N 1.34 0.77 0 CA-C-N 118.652 0.66 . . . . 0.0 112.489 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 m -133.77 162.05 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.223 0.535 . . . . 0.0 111.67 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 51.8 p -150.78 89.9 1.58 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.41 -126.66 11.5 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -175.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -84.06 -17.22 41.04 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 117.641 0.721 . . . . 0.0 109.528 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.9 147.26 48.96 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 74.5 t -137.79 115.92 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -85.76 125.42 33.22 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.2 mt -127.72 154.86 38.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -171.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.77 154.25 19.63 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 109.784 -1.326 . . . . 0.0 109.784 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 77.8 mt -140.36 138.28 36.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -135.24 98.79 4.07 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.097 0.475 . . . . 0.0 109.953 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.93 153.49 57.31 Favored Pre-proline 0 N--CA 1.448 -0.536 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.346 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.12 153.03 72.19 Favored 'Trans proline' 0 N--CA 1.445 -1.346 0 C-N-CA 122.657 2.238 . . . . 0.0 110.239 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -64.44 -8.26 12.88 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 121.21 0.528 . . . . 0.0 110.531 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.65 -9.33 18.9 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.573 1.549 . . . . 0.0 112.265 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -134.08 167.7 25.59 Favored 'Isoleucine or valine' 0 C--N 1.34 0.157 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.43 154.15 18.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -176.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -160.48 128.62 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.103 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 172.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -154.81 172.23 18.33 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 122.925 0.49 . . . . 0.0 109.801 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -73.11 161.8 30.19 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -60.83 -23.24 64.95 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.653 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -68.88 -47.91 64.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.549 0.34 . . . . 0.0 110.849 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 17.0 mm -77.03 -24.78 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-O 120.723 0.296 . . . . 0.0 110.48 -174.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.513 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 80.9 t80 -62.41 -29.7 70.69 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.565 0.346 . . . . 0.0 111.717 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -73.59 -21.59 60.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -75.72 -19.75 58.85 Favored 'General case' 0 C--N 1.34 0.177 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -99.4 -46.57 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.511 -172.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.513 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 74.5 mm-40 -69.98 3.03 2.94 Favored 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.33 -16.68 63.83 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.303 0.241 . . . . 0.0 111.252 174.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.96 18.27 0.08 OUTLIER Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.888 -0.951 . . . . 0.0 114.28 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -157.67 -176.27 5.84 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.892 1.346 . . . . 0.0 112.813 -170.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 16.6 p -143.95 8.2 1.45 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.407 1.083 . . . . 0.0 110.33 172.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.27 122.46 3.8 Favored Pre-proline 0 N--CA 1.452 -0.338 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -51.11 170.77 0.14 Allowed 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 124.591 3.528 . . . . 0.0 114.853 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 CA--C 1.532 0.252 0 C-N-CA 124.554 1.141 . . . . 0.0 112.986 -177.754 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 0 C3'-C2'-C1' 104.966 3.851 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 O5'-C5'-C4' 113.135 2.096 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 38' ' ' ' A' . . . . . 0.493 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 O4'-C1'-N19 111.813 3.613 . 0.079 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 39' ' ' ' G' . . . . . 0.493 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.967 0 C3'-C2'-C1' 103.627 2.364 . 0.101 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.334 1 O4'-C1'-N19 114.914 6.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C3'-C2'-C1' 104.401 3.224 . 0.188 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 42' ' ' ' C' . . . . . 0.53 ' C6 ' " H5'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.856 1 C3'-C2'-C1' 106.419 5.466 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . 0.43 ' H62' HG22 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 O3'-P-O5' 97.314 -3.519 . 0.01 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 C5'-C4'-O4' 114.018 3.442 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.42 ' C ' HD12 ' A' ' 3' ' ' ILE . 4.5 mt -140.19 152.31 45.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.42 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.4 mp -133.81 146.21 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -147.17 169.62 18.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.787 0.835 . . . . 0.0 109.877 -175.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -135.54 98.39 3.93 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 171.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.41 162.6 13.09 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.032 1.333 . . . . 0.0 108.854 -177.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -125.11 169.27 12.35 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 119.805 1.184 . . . . 0.0 111.572 174.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.446 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.2 m -59.39 135.4 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.02 -170.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.14 0.77 65.42 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.208 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -105.97 -179.57 3.98 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.836 0.818 . . . . 0.0 110.294 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -145.38 173.54 11.91 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -172.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.3 mt -152.36 158.16 4.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 127.211 2.204 . . . . 0.0 106.393 -173.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -136.15 157.81 45.91 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 118.731 0.696 . . . . 0.0 111.719 -175.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.9 mt -140.02 144.23 28.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 124.539 1.136 . . . . 0.0 108.792 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.05 -136.84 37.89 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.284 -1.127 . . . . 0.0 110.284 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -130.13 10.14 5.35 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.087 0.555 . . . . 0.0 110.262 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -141.88 10.93 2.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.115 0.566 . . . . 0.0 112.32 -176.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.08 146.45 34.08 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 CA-C-N 119.009 0.822 . . . . 0.0 110.446 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.3 m -138.63 156.02 47.8 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.761 0.824 . . . . 0.0 109.193 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -136.51 145.89 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.654 1.182 . . . . 0.0 108.112 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.5 m -142.72 147.1 35.07 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.556 0.217 . . . . 0.0 110.416 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.429 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 tp -105.91 92.72 2.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.41 -33.34 75.32 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.14 -0.35 . . . . 0.0 111.051 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.446 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.88 -171.38 38.66 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.636 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 m -133.58 160.59 42.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 CA-C-O 120.818 0.342 . . . . 0.0 111.428 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.7 p -150.69 89.41 1.55 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.98 -121.57 9.36 Favored Glycine 0 C--N 1.338 0.686 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -175.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -88.36 -19.03 27.18 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 117.707 0.754 . . . . 0.0 109.713 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.69 146.11 51.83 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.6 t -137.54 118.25 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -79.92 119.46 22.81 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -126.46 152.98 34.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.22 156.35 22.34 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.7 mt -140.3 144.24 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -175.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -140.89 108.06 5.48 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.53 158.01 38.27 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 123.609 0.764 . . . . 0.0 109.792 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.68 158.33 50.97 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 123.274 2.649 . . . . 0.0 110.738 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -69.06 -0.82 6.28 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-O 121.228 0.537 . . . . 0.0 110.205 173.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.78 -10.27 45.75 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.803 1.241 . . . . 0.0 110.938 173.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -138.66 167.91 20.33 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 C-N-CA 123.8 0.84 . . . . 0.0 109.399 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.15 153.61 22.91 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.685 0.279 . . . . 0.0 110.641 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.17 129.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -155.59 170.49 21.87 Favored 'General case' 0 C--N 1.335 -0.046 0 C-N-CA 123.623 0.769 . . . . 0.0 109.433 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -77.05 164.59 25.58 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 173.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -59.15 -20.67 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -70.84 -48.3 54.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.024 -0.423 . . . . 0.0 111.223 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.4 mm -77.78 -24.92 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.094 0 CA-C-O 120.629 0.252 . . . . 0.0 110.341 -173.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 84.3 t80 -61.24 -28.48 69.2 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.108 0.563 . . . . 0.0 112.067 -177.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -72.78 -21.4 61.0 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.638 0.375 . . . . 0.0 112.009 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -76.64 -18.81 58.38 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.2 mt -99.78 -46.4 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.538 -172.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.519 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 72.6 mm-40 -70.4 3.29 3.07 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -15.57 63.59 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 122.782 0.433 . . . . 0.0 111.102 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.03 19.11 0.08 OUTLIER Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.225 -0.764 . . . . 0.0 114.097 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -158.82 -175.77 5.49 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.888 1.344 . . . . 0.0 113.151 -170.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.7 p -145.19 9.95 1.28 Allowed 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 125.033 1.333 . . . . 0.0 110.131 172.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.76 124.12 4.66 Favored Pre-proline 0 N--CA 1.452 -0.349 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.96 173.57 0.07 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 124.709 3.606 . . . . 0.0 114.676 174.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 CA--C 1.53 0.191 0 C-N-CA 124.124 0.97 . . . . 0.0 112.27 -178.96 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C5'-C4'-C3' 110.049 -3.634 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 C5'-C4'-C3' 111.203 -2.865 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ' A' . . . . . 0.508 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.88 0 O4'-C1'-N19 111.123 2.923 . 0.084 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.508 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.977 0 C3'-C2'-C1' 103.886 2.651 . 0.041 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 2 O4'-C1'-N19 114.604 6.404 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 C5'-C4'-C3' 110.286 -3.476 . 0.133 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.799 1 O4'-C1'-N19 112.521 4.321 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . 0.426 " H1'" ' C6 ' ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 O4'-C1'-N19 110.429 2.229 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . 0.426 ' C6 ' " H1'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C5'-C4'-C3' 111.125 -2.916 . 0.445 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.4 tpt . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mt -137.71 154.23 49.67 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -136.36 147.4 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -144.6 165.3 28.41 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.079 0.952 . . . . 0.0 109.335 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.65 95.94 4.12 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 172.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 3.7 tpm_? -101.59 162.47 12.88 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.848 1.259 . . . . 0.0 108.183 -177.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -128.46 167.45 17.04 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 119.19 0.904 . . . . 0.0 110.951 174.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.433 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.5 m -55.4 130.54 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.307 -170.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.85 -2.2 56.89 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.659 176.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -107.95 -179.29 3.85 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.174 0.987 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 32.5 m -142.24 168.78 18.92 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 73.6 mt -140.93 163.72 21.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 126.758 2.023 . . . . 0.0 106.508 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -138.93 154.09 48.31 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 119.053 0.842 . . . . 0.0 112.099 -175.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mt -141.44 147.65 21.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 123.83 0.852 . . . . 0.0 108.892 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.0 -139.34 33.34 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -130.21 10.76 5.39 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.222 0.609 . . . . 0.0 110.052 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -141.37 11.01 2.11 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.317 0.647 . . . . 0.0 111.555 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.7 144.43 38.09 Favored 'Isoleucine or valine' 0 C--N 1.343 0.288 0 CA-C-N 118.844 0.747 . . . . 0.0 110.914 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 52.9 m -141.05 155.43 46.16 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.469 1.108 . . . . 0.0 108.063 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -133.55 147.77 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 10.0 m -140.79 145.67 36.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.862 0.363 . . . . 0.0 110.24 -176.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.416 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.2 tp -106.14 92.3 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.09 -26.2 66.6 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -171.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.433 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 159.57 -172.07 36.11 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 118.118 0.417 . . . . 0.0 112.309 177.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -133.14 160.36 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.087 0 CA-C-N 117.281 0.541 . . . . 0.0 111.403 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.5 t -150.9 89.43 1.54 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.63 -132.84 29.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 109.374 -1.491 . . . . 0.0 109.374 -174.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -77.12 -20.61 55.41 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 117.642 0.721 . . . . 0.0 109.332 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.67 147.13 51.01 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 176.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 89.7 t -137.27 123.23 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -85.75 127.77 34.62 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 mt -134.97 154.9 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -170.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.48 157.35 22.02 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.9 mt -139.95 135.0 37.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -134.44 98.26 4.04 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.246 0.546 . . . . 0.0 109.838 -174.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.26 155.21 50.39 Favored Pre-proline 0 N--CA 1.447 -0.6 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.73 154.13 62.74 Favored 'Trans proline' 0 N--CA 1.443 -1.492 0 C-N-CA 121.958 1.772 . . . . 0.0 109.333 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -63.64 -6.03 4.84 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 121.626 0.727 . . . . 0.0 110.057 175.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -63.23 -10.78 17.12 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 126.119 1.768 . . . . 0.0 112.041 175.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 m -134.15 158.43 42.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.73 142.96 29.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.492 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.418 ' CG2' HD12 ' A' ' 2' ' ' LEU . 4.7 m -147.63 135.13 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 172.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -155.12 165.13 37.66 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -67.16 157.68 33.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 172.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -64.24 -8.92 14.23 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.7 -48.75 53.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.929 -0.482 . . . . 0.0 110.714 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.3 mm -78.51 -24.86 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-O 120.649 0.262 . . . . 0.0 110.544 -173.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.492 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 79.9 t80 -61.62 -28.69 69.55 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -76.13 -21.08 57.02 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.447 0.299 . . . . 0.0 111.512 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -78.26 -18.07 55.83 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -99.52 -46.1 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 C-N-CA 122.662 0.385 . . . . 0.0 110.441 -173.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.492 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 80.3 mm-40 -70.06 3.17 2.91 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -11.9 56.07 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.857 0.463 . . . . 0.0 111.803 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.23 16.28 0.08 OUTLIER Glycine 0 C--N 1.341 0.861 0 CA-C-O 119.446 -0.641 . . . . 0.0 113.812 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -155.72 -164.75 1.8 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.397 1.098 . . . . 0.0 111.257 -172.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 21.8 m -134.86 -18.0 1.88 Allowed 'General case' 0 C--N 1.341 0.231 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.708 ' H ' ' CD ' ' C' ' 58' ' ' PRO . . . -163.04 -34.8 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 58' ' ' PRO . . . . . 0.708 ' CD ' ' H ' ' C' ' 57' ' ' ALA . 53.5 Cg_exo -56.33 149.4 55.88 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 122.965 2.443 . . . . 0.0 112.625 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 CA--C 1.538 0.5 0 C-N-CA 124.717 1.207 . . . . 0.0 112.89 175.522 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 O4'-C1'-N19 111.177 2.977 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . 0.434 " H3'" ' C8 ' ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.085 0 C5'-C4'-C3' 110.041 -3.639 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 38' ' ' ' A' . . . . . 0.487 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 O4'-C1'-N19 112.071 3.871 . 0.233 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 39' ' ' ' G' . . . . . 0.487 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 C3'-C2'-C1' 103.961 2.735 . 0.087 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 1 O4'-C1'-N19 113.182 4.982 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 C5'-C4'-C3' 110.353 -3.431 . 0.105 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 42' ' ' ' C' . . . . . 0.44 " H1'" ' C8 ' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.887 1 N19-C1'-C2' 106.481 -4.324 . 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . 0.626 ' C5 ' " H1'" ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.47 1 C5'-C4'-C3' 108.729 -4.514 . 0.082 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . 0.626 " H1'" ' C5 ' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.66 2 C5'-C4'-C3' 107.208 -5.528 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.415 -0.326 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mt -137.98 153.58 49.43 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.406 ' CD1' " H4'" ' B' ' 42' ' ' ' C' . 4.4 mp -136.17 145.83 30.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -146.46 166.58 25.97 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.013 0.925 . . . . 0.0 109.357 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m -134.64 94.44 3.19 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -104.38 162.61 13.07 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.9 1.28 . . . . 0.0 108.722 -175.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -124.23 169.27 11.91 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 119.812 1.187 . . . . 0.0 111.781 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.461 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 6.2 m -58.73 131.77 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.968 -170.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.14 -1.79 57.71 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.106 177.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -104.22 179.6 4.22 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.592 0.696 . . . . 0.0 110.162 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.6 m -143.16 168.26 20.17 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -173.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.0 mt -143.16 164.94 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -139.47 155.33 47.64 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.828 0.74 . . . . 0.0 111.823 -176.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.9 mt -141.92 149.01 20.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.02 -140.27 35.45 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -129.24 10.29 5.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.652 0.781 . . . . 0.0 109.663 177.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -144.27 11.94 1.54 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.53 0.732 . . . . 0.0 111.7 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.63 146.78 33.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 CA-C-N 118.951 0.796 . . . . 0.0 110.509 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.7 m -141.08 155.4 46.15 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 mm -135.03 147.86 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -142.97 145.5 33.04 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.429 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.0 OUTLIER -105.8 91.89 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.2 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.414 HD13 " H1'" ' D' ' 42' ' ' ' C' . 16.5 mt -66.28 -27.85 68.25 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -172.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.461 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.97 -173.42 36.64 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 118.181 0.446 . . . . 0.0 113.01 178.396 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -135.98 161.91 37.25 Favored 'Isoleucine or valine' 0 C--N 1.339 0.149 0 CA-C-O 120.805 0.336 . . . . 0.0 111.456 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -150.07 89.46 1.6 Allowed 'General case' 0 CA--C 1.523 -0.088 0 C-N-CA 124.178 0.991 . . . . 0.0 108.732 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.85 -102.54 1.33 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -106.8 -18.07 14.04 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -70.29 150.6 46.21 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -138.61 118.34 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -88.21 124.16 33.57 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -130.09 154.56 40.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -170.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.49 156.77 22.02 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -140.58 145.43 25.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -176.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -140.8 107.24 5.28 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.13 156.76 43.45 Favored Pre-proline 0 N--CA 1.454 -0.226 0 C-N-CA 123.097 0.559 . . . . 0.0 110.384 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.87 157.06 58.64 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 123.445 2.763 . . . . 0.0 111.061 175.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 38' ' ' LYS . 8.8 mmmm -72.61 -0.78 13.84 Favored 'General case' 0 N--CA 1.46 0.055 0 CA-C-O 120.764 0.316 . . . . 0.0 110.751 175.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.24 -8.16 47.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.97 0.908 . . . . 0.0 110.389 171.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m -139.23 169.1 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.322 1.049 . . . . 0.0 109.041 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.22 162.54 18.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.114 -0.367 . . . . 0.0 111.186 -174.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 p -156.9 127.11 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 123.47 0.708 . . . . 0.0 109.356 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -154.68 173.33 16.54 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 122.629 0.372 . . . . 0.0 110.785 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -72.11 155.87 39.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 169.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -19.6 17.38 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -178.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -63.94 -48.73 75.37 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.434 0.561 . . . . 0.0 110.146 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.0 mm -77.67 -26.93 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.208 -174.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.528 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 72.5 t80 -67.12 -31.28 71.63 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.848 0.459 . . . . 0.0 111.279 -177.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -71.22 -21.42 62.13 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.876 0.47 . . . . 0.0 111.174 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -80.84 -18.06 48.68 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 123.079 0.552 . . . . 0.0 110.137 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.8 mt -99.13 -45.7 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 122.369 0.268 . . . . 0.0 110.35 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.528 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 83.1 mm-40 -71.77 2.96 4.58 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.925 -0.484 . . . . 0.0 112.107 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.61 -15.32 63.36 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.625 0.37 . . . . 0.0 111.478 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.88 16.74 0.05 OUTLIER Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.289 -0.728 . . . . 0.0 114.105 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -157.16 -171.31 3.58 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.476 1.138 . . . . 0.0 112.048 -171.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.8 m -143.7 2.69 1.23 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 122.934 0.493 . . . . 0.0 110.389 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.39 81.69 6.57 Favored Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 122.975 0.51 . . . . 0.0 110.081 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -52.0 176.51 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 124.822 3.682 . . . . 0.0 114.547 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 CA--C 1.533 0.309 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.624 179.817 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 C5'-C4'-C3' 110.364 -3.424 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C5'-C4'-C3' 111.248 -2.835 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ' A' . . . . . 0.534 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.987 0 O4'-C1'-N19 111.441 3.241 . 0.017 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.534 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.034 0 C3'-C2'-C1' 103.573 2.304 . 0.101 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 1 O4'-C1'-N19 113.479 5.279 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C5'-C4'-C3' 110.215 -3.523 . 0.091 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ' C' . . . . . 0.589 " H3'" H5'' ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 O4'-C1'-N19 112.199 3.999 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . 0.589 H5'' " H3'" ' B' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.407 -3.821 0 C4'-C3'-C2' 99.145 -3.555 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . 0.517 ' C6 ' " O4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 O4'-C1'-N19 111.798 3.598 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 119.429 -0.319 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.445 ' HG ' " O4'" ' D' ' 40' ' ' ' G' . 0.8 OUTLIER -138.3 155.95 48.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 175.508 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.425 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 4.9 mp -135.28 148.57 28.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 85.5 mt -146.65 171.07 15.68 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.05 0.94 . . . . 0.0 110.023 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -139.56 106.23 5.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.102 0.477 . . . . 0.0 110.29 170.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.72 177.73 4.76 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.531 1.133 . . . . 0.0 109.367 176.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -132.7 170.44 15.23 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 110.455 169.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.449 ' HA ' HG13 ' C' ' 22' ' ' ILE . 10.6 m -57.3 133.9 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-O 121.059 0.457 . . . . 0.0 112.05 -172.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.93 -2.39 59.99 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.285 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -104.55 -178.62 3.71 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.824 0.812 . . . . 0.0 111.539 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 12.5 p -147.07 169.45 19.23 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -176.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 mm -139.81 164.47 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 127.245 2.218 . . . . 0.0 106.851 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -136.58 153.63 50.91 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.789 -0.569 . . . . 0.0 111.485 -174.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 39.3 mt -142.62 147.4 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.61 0.764 . . . . 0.0 109.139 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.17 -139.27 41.49 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -129.91 10.07 5.44 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.313 0.645 . . . . 0.0 110.108 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -143.97 11.42 1.59 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.555 0.742 . . . . 0.0 111.967 -177.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.29 144.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 CA-C-N 119.013 0.824 . . . . 0.0 110.487 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 88.8 m -141.26 155.68 45.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.961 0.904 . . . . 0.0 108.864 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.5 mm -133.68 145.41 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.0 m -139.42 145.51 38.98 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.449 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.4 tp -105.9 95.18 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.454 HD22 ' C2 ' ' B' ' 42' ' ' ' C' . 12.6 mt -66.25 -29.03 69.19 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -173.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.433 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.66 -171.25 35.35 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.7 m -133.26 161.82 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-O 121.374 0.606 . . . . 0.0 111.504 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 34.4 t -151.17 89.68 1.54 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.01 -132.07 25.84 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 108.961 -1.656 . . . . 0.0 108.961 -174.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -79.12 -17.45 55.07 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 117.729 0.765 . . . . 0.0 109.755 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.65 146.38 50.02 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -137.5 118.87 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 106.077 -1.824 . . . . 0.0 106.077 -177.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -87.47 126.12 34.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -131.17 155.35 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -170.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.75 155.85 21.4 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.37 143.02 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -140.15 105.94 5.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.79 156.89 41.24 Favored Pre-proline 0 N--CA 1.451 -0.419 0 C-N-CA 123.782 0.833 . . . . 0.0 109.527 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.48 159.19 45.57 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.276 2.651 . . . . 0.0 110.761 175.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 38' ' ' LYS . . . . . 0.423 ' HA ' ' HD2' ' C' ' 38' ' ' LYS . 10.8 mmmm -70.27 -0.53 8.18 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-O 121.177 0.513 . . . . 0.0 110.434 172.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -67.02 -11.56 57.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.899 1.279 . . . . 0.0 110.655 173.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 m -138.85 168.09 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.958 0.903 . . . . 0.0 109.769 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.81 157.96 17.35 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.614 0.245 . . . . 0.0 110.769 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -157.52 128.81 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.23 0.066 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 173.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -155.18 171.05 20.44 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.474 0.71 . . . . 0.0 109.617 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -75.69 165.27 25.31 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 173.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -59.98 -20.92 60.24 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -175.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -70.13 -49.62 48.78 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 122.075 -0.391 . . . . 0.0 111.472 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 18.4 mm -76.77 -25.54 15.92 Favored 'Isoleucine or valine' 0 C--N 1.337 0.063 0 CA-C-O 120.961 0.41 . . . . 0.0 110.696 -173.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.461 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 87.1 t80 -60.63 -31.06 70.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.703 0.401 . . . . 0.0 111.326 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.24 -21.69 62.97 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.628 0.371 . . . . 0.0 111.809 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -80.66 -20.17 43.66 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 75.1 mt -99.41 -29.64 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 123.551 0.741 . . . . 0.0 110.842 -173.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.461 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 70.3 mm-40 -87.59 4.67 42.84 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 175.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.47 -13.71 22.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.82 29.09 0.53 Allowed Glycine 0 C--N 1.342 0.877 0 CA-C-O 119.386 -0.675 . . . . 0.0 112.874 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.22 -22.74 0.11 Allowed 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -168.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.4 m 41.53 34.81 0.4 Allowed 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -172.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.61 124.93 4.22 Favored Pre-proline 0 CA--C 1.532 0.272 0 O-C-N 121.922 -0.486 . . . . 0.0 109.926 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -52.98 177.05 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 124.55 3.5 . . . . 0.0 114.016 174.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--O 1.232 0.136 0 C-N-CA 123.831 0.853 . . . . 0.0 112.135 179.659 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . 0.435 " H4'" ' C5 ' ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C5'-C4'-C3' 110.421 -3.386 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . 0.435 ' C5 ' " H4'" ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.316 1 C5'-C4'-C3' 109.165 -4.223 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 O4'-C1'-N19 111.065 2.865 . 0.048 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 39' ' ' ' G' . . . . . 0.452 " H1'" ' C6 ' ' D' ' 41' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.405 -4.01 1 C4'-C3'-C2' 96.399 -6.301 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . 0.445 " O4'" ' HG ' ' C' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.418 -2.923 1 O4'-C1'-N19 113.04 4.84 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 41' ' ' ' A' . . . . . 0.452 ' C6 ' " H1'" ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 C5'-C4'-C3' 110.589 -3.274 . 0.24 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 42' ' ' ' C' . . . . . 0.425 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.647 3.447 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . 0.412 ' C8 ' " H3'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.411 -3.482 0 O3'-P-O5' 99.163 -2.546 . 0.101 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . 0.408 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 C4'-C3'-C2' 99.454 -3.246 . 0.011 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 tpt . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.402 ' C ' HD12 ' A' ' 3' ' ' ILE . 5.3 mt -137.64 151.58 48.44 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.402 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.6 mp -134.71 144.45 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.9 mt -147.84 166.05 28.74 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 123.812 0.845 . . . . 0.0 109.797 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -133.83 96.39 3.66 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-O 121.201 0.524 . . . . 0.0 109.957 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -93.01 179.45 5.44 Favored 'General case' 0 C--N 1.335 -0.064 0 C-N-CA 125.013 1.325 . . . . 0.0 109.218 177.751 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -136.08 172.32 13.19 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 168.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.425 ' HA ' HG13 ' A' ' 22' ' ' ILE . 11.7 m -59.72 135.09 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-O 121.078 0.466 . . . . 0.0 111.834 -172.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.64 -1.28 61.67 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.301 178.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -102.08 -179.67 4.06 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 117.968 0.884 . . . . 0.0 110.878 -178.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 m -144.7 168.79 19.34 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -173.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.406 HD11 ' HD2' ' A' ' 6' ' ' ARG . 36.8 mm -142.87 164.4 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 126.014 1.726 . . . . 0.0 106.887 178.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -138.57 153.88 48.7 Favored 'General case' 0 C--O 1.23 0.078 0 O-C-N 121.422 -0.799 . . . . 0.0 111.564 -176.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.9 mt -141.07 146.83 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.0 -138.06 35.64 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -130.11 10.56 5.41 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.096 0.558 . . . . 0.0 109.744 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -142.42 11.83 1.92 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.609 0.764 . . . . 0.0 111.784 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.98 143.94 39.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 CA-C-N 118.707 0.685 . . . . 0.0 110.272 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 m -141.18 155.85 46.01 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.3 mm -135.37 148.43 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -178.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.4 m -142.32 146.85 35.47 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.425 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 tp -105.57 93.56 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.412 HD22 ' C2 ' ' D' ' 42' ' ' ' C' . 13.3 mt -63.4 -30.92 71.97 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -174.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.416 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.17 -170.17 34.9 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.1 m -128.93 161.51 38.03 Favored 'Isoleucine or valine' 0 C--O 1.23 0.062 0 CA-C-O 121.242 0.544 . . . . 0.0 111.165 178.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -150.21 89.3 1.57 Allowed 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.86 -139.97 35.62 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -173.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -71.33 -15.84 62.42 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 117.826 0.813 . . . . 0.0 110.064 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.44 149.79 38.45 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.5 t -135.19 124.25 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -177.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.1 ttm105 -94.02 125.05 38.42 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -132.23 155.35 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.619 -168.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.83 156.47 21.44 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.3 mt -140.62 142.24 30.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -176.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -140.14 106.27 5.23 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.11 156.01 43.5 Favored Pre-proline 0 N--CA 1.453 -0.286 0 C-N-CA 123.738 0.815 . . . . 0.0 109.92 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.7 159.0 47.41 Favored 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 123.202 2.602 . . . . 0.0 111.129 176.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -72.41 -0.85 13.6 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 122.674 0.39 . . . . 0.0 110.443 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -72.39 -6.26 42.21 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 124.263 1.025 . . . . 0.0 110.814 173.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m -138.03 168.77 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.612 0.765 . . . . 0.0 109.478 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.74 155.81 21.95 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.871 0.367 . . . . 0.0 111.348 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.24 128.64 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -154.4 172.74 17.24 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.343 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -69.55 154.13 42.45 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -58.72 -22.57 57.89 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.549 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -67.97 -46.41 71.46 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.462 0.705 . . . . 0.0 111.144 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.5 mm -78.09 -28.51 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 122.253 0.221 . . . . 0.0 110.488 -174.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.509 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 82.6 t80 -59.37 -28.77 67.17 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.155 0.582 . . . . 0.0 111.614 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -71.03 -21.43 62.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.694 0.398 . . . . 0.0 111.864 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -80.4 -19.18 46.83 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 122.947 0.499 . . . . 0.0 110.061 177.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.0 mt -98.5 -33.02 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.722 0.809 . . . . 0.0 110.104 -173.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.509 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 24.5 mm100 -84.78 3.59 36.91 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 122.32 -0.238 . . . . 0.0 111.019 174.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.0 -19.78 64.68 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.81 0.444 . . . . 0.0 112.187 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.7 27.36 0.07 OUTLIER Glycine 0 C--N 1.339 0.75 0 CA-C-O 119.112 -0.827 . . . . 0.0 113.869 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 56' ' ' THR . 0.6 OUTLIER -149.45 -36.75 0.16 Allowed 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.896 1.348 . . . . 0.0 114.474 -173.373 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.414 ' N ' HD12 ' A' ' 55' ' ' LEU . 2.9 m 38.58 28.25 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.769 1.227 . . . . 0.0 113.618 -171.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.76 66.38 4.02 Favored Pre-proline 0 CA--C 1.532 0.268 0 O-C-N 121.798 -0.564 . . . . 0.0 111.079 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.82 176.08 0.08 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 124.276 3.317 . . . . 0.0 114.079 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 CA--C 1.53 0.199 0 C-N-CA 123.637 0.775 . . . . 0.0 112.051 178.354 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . 0.413 H5'' ' C6 ' ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C5'-C4'-C3' 111.53 -2.647 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 1 C5'-C4'-C3' 109.236 -4.176 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ' A' . . . . . 0.496 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.788 1 O4'-C1'-N19 112.475 4.275 . 0.142 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.496 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C3'-C2'-C1' 103.814 2.571 . 0.081 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 2 O4'-C1'-N19 115.31 7.11 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 C5'-C4'-C3' 109.759 -3.827 . 0.114 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 1 O4'-C1'-N19 112.492 4.292 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 O4'-C1'-N19 110.259 2.059 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C5'-C4'-C3' 111.023 -2.985 . 0.425 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.2 tpt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.417 -0.325 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mt -134.89 154.03 51.83 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.297 0.499 . . . . 0.0 110.014 176.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.421 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 4.6 mp -134.47 148.72 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 76.2 mt -145.86 165.27 29.4 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.824 0.849 . . . . 0.0 110.542 -173.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.61 96.26 2.95 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.415 ' HD2' HD11 ' C' ' 12' ' ' ILE . 1.3 mtp180 -106.81 168.9 8.87 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 124.498 1.119 . . . . 0.0 111.207 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -110.58 166.0 11.35 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -64.68 135.82 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 120.034 -0.667 . . . . 0.0 110.345 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.48 5.91 64.74 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.527 -0.596 . . . . 0.0 112.196 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -109.83 178.27 4.47 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.095 0.948 . . . . 0.0 111.034 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.5 m -143.61 168.11 20.66 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -171.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.415 HD11 ' HD2' ' C' ' 6' ' ' ARG . 39.8 mm -144.06 163.26 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 127.059 2.143 . . . . 0.0 107.089 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -135.15 155.92 49.87 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 118.732 0.696 . . . . 0.0 112.318 -176.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 43.2 mt -142.97 146.81 21.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.638 1.175 . . . . 0.0 109.115 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.8 -140.86 33.53 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 -178.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -130.19 10.5 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.455 0.702 . . . . 0.0 110.421 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -141.09 11.92 2.2 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.703 0.801 . . . . 0.0 111.947 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -128.81 144.16 38.94 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 CA-C-N 118.971 0.805 . . . . 0.0 111.029 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 42.7 m -140.7 156.14 46.29 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -133.32 145.75 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 53.3 m -142.24 146.06 34.75 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -105.46 99.21 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -67.61 -28.27 67.6 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -174.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.41 -172.84 34.23 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-N 117.944 0.338 . . . . 0.0 112.543 175.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -134.17 161.33 40.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.888 0.344 . . . . 0.0 111.366 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -150.34 89.74 1.6 Allowed 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.6 -102.29 1.49 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 109.786 -1.325 . . . . 0.0 109.786 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -107.06 -19.08 13.73 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 117.27 0.535 . . . . 0.0 109.73 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -68.1 149.72 49.28 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -139.66 110.28 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -84.47 124.65 31.59 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mt -127.05 155.04 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -171.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.07 154.51 19.87 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 177.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.9 mt -140.33 136.96 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -133.33 98.56 4.27 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 121.292 0.567 . . . . 0.0 110.037 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.86 153.22 57.22 Favored Pre-proline 0 N--CA 1.449 -0.479 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.058 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.9 152.77 77.21 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 122.28 1.987 . . . . 0.0 109.823 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -7.39 12.11 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-O 121.587 0.708 . . . . 0.0 111.017 177.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.46 -9.57 19.43 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.528 1.531 . . . . 0.0 112.193 174.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.38 167.94 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.68 155.12 18.52 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.813 -175.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -160.37 131.12 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 172.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -155.45 170.94 20.78 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.04 0.536 . . . . 0.0 110.427 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -73.06 157.48 37.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 170.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -21.76 63.87 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.812 -0.755 . . . . 0.0 111.337 177.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.49 -28.53 69.26 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 122.192 -0.318 . . . . 0.0 110.362 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 14.4 mm -99.46 -31.84 3.58 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.101 0 C-N-CA 122.609 0.364 . . . . 0.0 110.111 -176.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -62.48 -33.39 74.76 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.346 0.259 . . . . 0.0 111.178 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -64.37 -18.26 64.5 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.579 1.151 . . . . 0.0 112.478 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -86.5 -13.95 44.51 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.195 0.598 . . . . 0.0 112.289 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 85.1 mt -100.47 -63.64 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -168.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.19 2.44 0.36 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.49 -16.06 63.84 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -175.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.44 18.53 0.07 OUTLIER Glycine 0 CA--C 1.527 0.831 0 CA-C-N 118.301 0.501 . . . . 0.0 113.393 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.96 -28.6 0.24 Allowed 'General case' 0 C--O 1.227 -0.085 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -172.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.1 m 40.53 31.68 0.12 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.581 1.152 . . . . 0.0 113.165 -174.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.5 106.57 2.38 Favored Pre-proline 0 N--CA 1.451 -0.389 0 C-N-CA 123.258 0.623 . . . . 0.0 109.897 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.32 177.6 0.05 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 124.787 3.658 . . . . 0.0 114.43 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 124.249 1.02 . . . . 0.0 112.189 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 2 C4'-C3'-C2' 97.643 -5.057 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 0 O5'-C5'-C4' 113.392 2.28 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 38' ' ' ' A' . . . . . 0.503 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 P-O3'-C3' 122.503 2.336 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 39' ' ' ' G' . . . . . 0.503 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 P-O3'-C3' 122.612 2.427 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 1 O4'-C1'-N19 112.797 4.597 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 0 C5'-C4'-C3' 109.941 -3.706 . 0.043 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 42' ' ' ' C' . . . . . 0.499 " H3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.024 0 O4'-C1'-N19 111.833 3.633 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . 0.517 " O4'" ' C6 ' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.408 -3.741 0 C4'-C3'-C2' 100.092 -2.608 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . 0.517 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C5'-C4'-C3' 110.664 -3.224 . 0.215 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 tpt . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 119.5 -0.286 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 3' ' ' ILE . 5.1 mt -140.54 153.62 46.22 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 122.858 0.463 . . . . 0.0 110.132 175.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.415 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.5 mp -137.48 147.14 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.6 mt -144.25 167.27 22.82 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.263 1.025 . . . . 0.0 109.549 -176.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -134.14 99.28 4.36 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.409 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -103.52 177.71 4.76 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.41 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -133.47 169.4 17.02 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 172.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.434 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.9 m -57.45 132.96 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-O 121.257 0.551 . . . . 0.0 111.977 -172.219 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.43 -12.11 59.89 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.659 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -87.84 -178.62 6.08 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 117.84 0.82 . . . . 0.0 111.331 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -145.45 167.63 22.49 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.341 0.591 . . . . 0.0 111.654 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -141.08 164.47 20.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 125.503 1.521 . . . . 0.0 106.936 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -138.66 153.7 48.59 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 118.833 0.742 . . . . 0.0 111.883 -176.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.6 mt -141.26 148.22 21.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.85 -141.08 33.28 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -130.21 10.73 5.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.193 0.597 . . . . 0.0 110.4 175.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -138.39 11.21 2.76 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.126 0.97 . . . . 0.0 111.625 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.67 144.68 37.26 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-N 119.154 0.888 . . . . 0.0 110.941 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.7 m -140.15 155.75 46.84 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.2 mm -134.3 149.12 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.6 m -140.66 146.47 37.91 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.431 HG13 ' HA ' ' A' ' 8' ' ' VAL . 2.0 tp -105.5 95.88 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.455 HD22 ' C2 ' ' D' ' 42' ' ' ' C' . 10.7 mt -66.91 -28.79 68.59 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.151 -0.343 . . . . 0.0 111.481 -175.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.434 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.33 -171.06 35.13 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-N 118.082 0.401 . . . . 0.0 112.902 176.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -136.33 163.58 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 117.097 0.448 . . . . 0.0 111.434 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.7 t -152.03 89.67 1.47 Allowed 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.905 0.882 . . . . 0.0 108.966 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.4 -88.41 0.81 Allowed Glycine 0 C--N 1.338 0.672 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -118.98 -20.1 8.24 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 122.678 0.391 . . . . 0.0 109.958 174.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -71.72 149.72 45.17 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.5 t -137.19 110.74 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -81.36 125.63 30.61 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 mt -126.99 155.24 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -172.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.09 154.46 19.86 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -140.24 140.11 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -175.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -139.69 104.6 4.95 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -175.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.11 154.67 50.6 Favored Pre-proline 0 N--CA 1.448 -0.528 0 C-N-CA 124.087 0.955 . . . . 0.0 108.627 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -60.87 153.64 61.79 Favored 'Trans proline' 0 N--CA 1.444 -1.434 0 C-N-CA 122.292 1.995 . . . . 0.0 110.249 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -65.45 -5.01 6.59 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.944 0.402 . . . . 0.0 110.244 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -73.6 -7.97 54.09 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.05 1.74 . . . . 0.0 112.678 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.4 m -132.65 168.59 23.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.54 153.94 20.54 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.804 0.335 . . . . 0.0 111.541 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -157.15 128.24 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 174.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -155.46 173.05 17.23 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.952 0.501 . . . . 0.0 110.361 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 74.9 ttt180 -68.63 156.17 38.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 173.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -58.87 -22.96 60.25 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.673 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.41 ' H ' ' HG2' ' A' ' 44' ' ' ARG . 18.3 tp10 -67.65 -49.03 64.95 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.148 0.579 . . . . 0.0 110.752 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 mm -76.85 -24.87 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 122.385 0.274 . . . . 0.0 110.334 -173.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.506 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 83.3 t80 -61.44 -28.88 69.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 123.018 0.527 . . . . 0.0 111.577 -178.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -72.84 -21.76 60.9 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.663 0.385 . . . . 0.0 111.708 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -76.68 -19.61 57.54 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.4 mt -99.22 -45.39 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 122.909 0.483 . . . . 0.0 110.666 -172.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.506 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 72.3 mm-40 -70.45 3.09 3.24 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 122.092 -0.38 . . . . 0.0 111.588 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.41 -16.9 64.45 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 122.756 0.423 . . . . 0.0 111.18 174.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.19 18.67 0.07 OUTLIER Glycine 0 CA--C 1.528 0.882 0 CA-C-O 119.086 -0.841 . . . . 0.0 114.371 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -158.17 -178.3 7.19 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.998 1.399 . . . . 0.0 113.13 -170.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -147.4 6.98 0.86 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.301 1.041 . . . . 0.0 110.328 173.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.22 79.48 5.56 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 123.067 0.547 . . . . 0.0 109.997 -178.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.83 172.7 0.09 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 124.563 3.508 . . . . 0.0 114.652 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.53 0.184 0 C-N-CA 123.925 0.89 . . . . 0.0 112.94 -177.012 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C5'-C4'-C3' 110.933 -3.045 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.876 0 C5'-C4'-C3' 111.41 -2.727 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ' A' . . . . . 0.417 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 O4'-C1'-N19 110.921 2.721 . 0.105 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.417 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.89 0 C5'-C4'-C3' 112.453 -2.031 . 0.044 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 1 O4'-C1'-N19 113.191 4.991 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.319 0 C5'-C4'-C3' 110.211 -3.526 . 0.132 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ' C' . . . . . 0.445 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.421 -2.7 1 O4'-C1'-N19 112.419 4.219 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . 0.687 ' C5 ' " H1'" ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 N19-C1'-C2' 118.274 3.046 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . 0.687 " H1'" ' C5 ' ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.927 1 C5'-C4'-C3' 107.495 -5.337 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 19.0 tpt . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 119.493 -0.289 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mt -140.41 154.52 46.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.02 136.93 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.51 HD13 ' C2 ' ' D' ' 38' ' ' ' A' . 4.5 mm? -131.83 164.81 25.23 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 125.321 1.448 . . . . 0.0 109.252 -173.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.5 m -138.54 98.64 3.63 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 171.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -104.69 162.93 12.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.816 1.246 . . . . 0.0 108.695 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -124.46 168.54 12.92 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 119.365 0.984 . . . . 0.0 110.598 172.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.457 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.1 m -58.39 127.09 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.06 -170.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.22 3.08 54.28 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.41 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -115.26 177.03 4.81 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.19 0.995 . . . . 0.0 110.337 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 51.8 m -141.64 168.77 18.96 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -169.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 51.5 mt -141.81 165.15 18.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 126.193 1.797 . . . . 0.0 106.966 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -139.06 156.46 47.16 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 119.054 0.843 . . . . 0.0 112.3 -176.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 52.9 mt -140.99 150.86 20.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 124.083 0.953 . . . . 0.0 108.771 177.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.76 -140.0 34.98 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -129.48 10.41 5.68 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.84 0.856 . . . . 0.0 109.853 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -144.12 11.42 1.55 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.425 0.69 . . . . 0.0 111.839 -176.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.07 146.74 33.15 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 CA-C-N 118.865 0.757 . . . . 0.0 110.569 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -141.15 154.72 46.02 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.751 0.82 . . . . 0.0 108.93 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.4 145.54 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -143.29 146.44 33.59 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 121.018 0.437 . . . . 0.0 110.038 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.18 97.97 6.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 177.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.445 HD22 ' C2 ' ' B' ' 42' ' ' ' C' . 10.4 mt -68.04 -33.91 75.47 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.743 -174.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.457 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 165.32 -176.19 41.0 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.298 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.2 161.14 41.22 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 121.192 0.52 . . . . 0.0 111.201 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 19.0 p -151.52 89.46 1.49 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.863 0.865 . . . . 0.0 109.074 175.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.54 -99.28 1.46 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -112.4 -17.86 12.6 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.34 148.68 48.18 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -137.53 116.9 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.87 118.16 20.65 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 174.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -124.6 152.72 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -176.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.26 154.51 20.88 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -140.72 144.81 26.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -176.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -140.6 108.76 5.77 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -176.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.68 157.74 40.77 Favored Pre-proline 0 N--CA 1.455 -0.187 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.375 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.06 159.25 43.59 Favored 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 123.189 2.593 . . . . 0.0 111.04 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 38' ' ' LYS . . . . . 0.433 ' HA ' ' HD2' ' C' ' 38' ' ' LYS . 11.4 mmmm -71.03 -0.17 8.87 Favored 'General case' 0 C--O 1.23 0.054 0 CA-C-O 121.162 0.506 . . . . 0.0 110.069 173.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.49 -11.68 58.51 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.008 1.323 . . . . 0.0 110.594 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -139.24 168.1 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.158 0.983 . . . . 0.0 109.342 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.48 157.04 18.8 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.203 0.201 . . . . 0.0 110.521 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -156.71 128.57 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 175.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -156.21 172.3 18.69 Favored 'General case' 0 C--O 1.23 0.052 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.522 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 5.4 ptp85 -80.64 166.35 21.17 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -58.83 -23.55 60.78 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' GLU . . . . . 0.522 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 55.0 tt0 -69.65 -38.15 77.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.014 0.526 . . . . 0.0 112.0 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.7 mm -90.53 -24.62 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.471 ' HA ' HG12 ' C' ' 51' ' ' ILE . 85.0 t80 -59.65 -28.33 67.15 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 122.647 0.379 . . . . 0.0 111.526 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -69.85 -21.52 63.35 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.011 0.524 . . . . 0.0 111.132 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -86.07 -15.8 40.09 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 176.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.471 HG12 ' HA ' ' C' ' 48' ' ' TYR . 7.2 mm -79.97 -58.02 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 175.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.467 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 86.4 mm-40 -69.21 3.07 2.36 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.127 0.971 . . . . 0.0 112.611 -174.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.39 -15.05 62.19 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.956 0.502 . . . . 0.0 111.572 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.87 14.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.969 0 CA-C-O 119.316 -0.713 . . . . 0.0 113.769 177.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -157.89 -175.52 5.41 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.56 1.18 . . . . 0.0 112.529 -170.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 3.7 m -146.69 1.62 0.8 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.221 0.609 . . . . 0.0 110.104 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.99 80.88 5.89 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 123.425 0.69 . . . . 0.0 109.59 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -50.83 170.06 0.15 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 124.864 3.709 . . . . 0.0 115.093 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.894 -178.216 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 1 C5'-C4'-C3' 108.974 -4.35 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . 0.439 " H3'" ' C8 ' ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 O5'-C5'-C4' 113.72 2.514 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 38' ' ' ' A' . . . . . 0.512 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 111.06 2.86 . 0.067 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 39' ' ' ' G' . . . . . 0.512 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 P-O3'-C3' 122.681 2.485 . 0.099 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.313 1 O4'-C1'-N19 114.55 6.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 C5'-C4'-C3' 110.408 -3.395 . 0.147 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 42' ' ' ' C' . . . . . 0.581 " H3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.771 1 O4'-C1'-N19 112.59 4.39 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . 0.581 H5'' " H3'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.411 -3.536 0 C4'-C3'-C2' 99.227 -3.473 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . 0.524 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 O4'-C1'-N19 111.629 3.429 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 tpt . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mt -136.04 156.31 48.92 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 172.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.424 ' HB ' ' H62' ' B' ' 43' ' ' ' A' . 3.4 mp -138.36 147.54 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 175.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -143.16 167.62 21.68 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.709 0.804 . . . . 0.0 109.516 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -135.98 95.58 3.24 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 172.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.645 HH21 HG22 ' A' ' 22' ' ' ILE . 9.1 ttp180 -107.47 179.51 4.22 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.956 0.902 . . . . 0.0 109.562 -177.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -137.4 171.31 14.66 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 118.453 0.569 . . . . 0.0 111.533 174.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.468 ' HA ' HG13 ' A' ' 22' ' ' ILE . 10.3 m -56.79 136.28 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.982 -173.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.72 -6.52 67.5 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.064 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -94.38 179.24 5.36 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.277 1.038 . . . . 0.0 111.502 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.2 m -146.41 166.33 26.69 Favored 'General case' 0 C--N 1.341 0.223 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -178.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 13' ' ' ASN . 35.4 mm -143.87 168.6 11.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 125.893 1.677 . . . . 0.0 107.716 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.416 ' N ' HG22 ' A' ' 12' ' ' ILE . 19.0 m120 -136.65 153.6 50.87 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.106 0.479 . . . . 0.0 112.117 -176.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -140.34 150.14 21.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 124.088 0.955 . . . . 0.0 108.702 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.92 -140.08 31.64 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -129.84 10.55 5.53 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.162 0.585 . . . . 0.0 110.374 176.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -142.1 12.65 2.01 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.888 0.875 . . . . 0.0 111.883 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -127.82 146.9 32.71 Favored 'Isoleucine or valine' 0 C--N 1.34 0.163 0 CA-C-N 118.977 0.808 . . . . 0.0 111.114 -178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.9 m -141.16 155.04 46.14 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.295 1.038 . . . . 0.0 108.676 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.9 mm -134.48 145.72 32.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.1 m -140.46 148.97 41.95 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.645 HG22 HH21 ' A' ' 6' ' ' ARG . 2.8 tp -108.22 94.59 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -66.13 -27.97 68.44 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -173.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 155.99 -169.95 33.68 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 118.141 0.428 . . . . 0.0 112.151 177.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -131.94 161.97 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 CA-C-O 121.047 0.451 . . . . 0.0 111.181 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.5 t -150.99 90.39 1.61 Allowed 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 176.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.83 -135.46 28.39 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -173.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -75.32 -17.36 60.27 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 117.72 0.76 . . . . 0.0 110.267 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.9 149.96 47.28 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.4 t -137.97 119.27 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 105.799 -1.926 . . . . 0.0 105.799 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -87.94 127.76 35.37 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mt -135.35 155.22 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -169.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.15 154.79 21.17 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.161 -1.175 . . . . 0.0 110.161 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.8 mt -140.59 144.09 27.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -176.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -140.53 107.67 5.48 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.54 157.96 40.92 Favored Pre-proline 0 C--O 1.234 0.262 0 C-N-CA 123.809 0.844 . . . . 0.0 109.212 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -64.58 159.79 43.06 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.448 2.765 . . . . 0.0 110.858 175.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 11.2 mmmm -71.82 -0.53 11.41 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-O 121.025 0.441 . . . . 0.0 109.887 172.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.87 -11.61 56.41 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.704 1.201 . . . . 0.0 110.673 172.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -138.53 168.34 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.028 0.931 . . . . 0.0 109.66 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.19 155.88 22.26 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.326 -0.234 . . . . 0.0 110.819 -176.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.99 130.33 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -155.41 174.63 14.97 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.474 0.709 . . . . 0.0 109.511 177.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -73.56 164.04 27.2 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -60.88 -27.41 68.12 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.391 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -65.89 -38.26 88.29 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.976 0.511 . . . . 0.0 111.1 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -91.69 -29.36 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 122.19 0.196 . . . . 0.0 110.81 -173.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -54.17 -29.83 47.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.521 0.728 . . . . 0.0 111.622 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -61.48 -15.8 41.22 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.538 0.735 . . . . 0.0 112.457 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -83.56 -41.05 18.34 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 51' ' ' ILE . 1.1 mp -65.86 -14.67 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 124.354 1.062 . . . . 0.0 109.404 -178.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -110.26 3.12 19.68 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -138.43 -3.59 1.71 Allowed 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.55 -11.53 0.03 OUTLIER Glycine 0 CA--C 1.526 0.764 0 CA-C-N 119.12 0.873 . . . . 0.0 113.244 178.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.49 ' N ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 69.9 174.88 0.29 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.603 1.561 . . . . 0.0 111.913 170.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.2 t -144.23 9.19 1.44 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.357 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.6 71.37 8.18 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 123.025 0.53 . . . . 0.0 110.647 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.41 174.22 0.1 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 124.605 3.537 . . . . 0.0 114.005 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 CA--C 1.529 0.151 0 C-N-CA 124.28 1.032 . . . . 0.0 112.58 179.915 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 C3'-C2'-C1' 104.527 3.363 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 O4'-C1'-N19 110.999 2.799 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ' A' . . . . . 0.465 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.821 0 O4'-C1'-N19 111.162 2.962 . 0.078 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.465 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 C3'-C2'-C1' 104.003 2.781 . 0.132 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.435 1 O4'-C1'-N19 113.301 5.101 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C5'-C4'-C3' 110.887 -3.076 . 0.122 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 C5'-C4'-C3' 111.368 -2.754 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . 0.424 ' H62' ' HB ' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.848 0 C5'-C4'-C3' 109.681 -3.88 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C5'-C4'-C3' 111.946 -2.369 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.423 ' C ' HD12 ' C' ' 3' ' ' ILE . 5.2 mt -134.51 151.92 51.44 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.476 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 4.5 mp -133.27 148.17 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -145.39 166.19 26.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.917 0.887 . . . . 0.0 110.082 -175.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.72 94.5 2.84 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.12 174.35 5.91 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 124.425 1.09 . . . . 0.0 109.431 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -131.53 171.2 13.7 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 118.535 0.607 . . . . 0.0 111.312 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.442 ' HA ' HG13 ' C' ' 22' ' ' ILE . 6.1 m -57.71 131.73 21.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.658 -171.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.98 0.71 58.65 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.392 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -104.98 178.37 4.58 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.091 0.946 . . . . 0.0 110.686 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 44.4 m -143.87 167.62 21.88 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -173.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 43.4 mt -143.37 165.16 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 125.809 1.643 . . . . 0.0 106.975 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -141.59 155.37 45.76 Favored 'General case' 0 N--CA 1.458 -0.075 0 O-C-N 121.443 -0.786 . . . . 0.0 112.241 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 52.7 mt -140.83 148.28 21.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 C-N-CA 124.176 0.99 . . . . 0.0 108.44 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.13 -138.78 38.64 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -129.94 10.41 5.47 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.575 0.75 . . . . 0.0 109.847 176.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -142.25 10.67 1.92 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.318 0.647 . . . . 0.0 112.016 -176.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -127.75 145.98 34.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 118.681 0.673 . . . . 0.0 110.353 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 46.3 m -140.05 155.16 47.18 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.5 mm -135.06 145.39 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 15.0 m -139.96 146.07 38.67 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.442 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.2 tp -105.65 95.69 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.32 -24.93 62.21 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -172.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.428 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.39 -173.98 35.52 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 118.057 0.39 . . . . 0.0 113.153 176.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -136.51 160.99 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 117.064 0.432 . . . . 0.0 111.714 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -150.21 89.03 1.55 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.603 1.161 . . . . 0.0 108.813 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.91 -102.4 1.54 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -106.64 -19.85 13.54 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 117.577 0.689 . . . . 0.0 109.289 172.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -68.26 149.03 49.97 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 53.0 t -138.27 116.67 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -77.79 121.07 23.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 mt -128.49 154.96 39.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.99 157.72 22.78 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.4 142.92 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -140.0 107.27 5.51 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -177.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.4 156.99 42.54 Favored Pre-proline 0 N--CA 1.452 -0.348 0 C-N-CA 123.421 0.688 . . . . 0.0 109.858 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.56 158.21 51.1 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 123.277 2.651 . . . . 0.0 110.799 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -72.45 -0.65 13.15 Favored 'General case' 0 CA--C 1.527 0.081 0 CA-C-O 120.981 0.419 . . . . 0.0 110.406 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.4 -7.26 48.82 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.539 1.136 . . . . 0.0 111.218 173.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -136.77 168.58 21.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 123.653 0.781 . . . . 0.0 109.177 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.03 156.83 20.7 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.822 0.344 . . . . 0.0 111.391 -175.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -156.06 125.04 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -151.05 171.0 18.02 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' C' ' 44' ' ' ARG . 36.9 mtp-105 -71.33 160.94 31.89 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -61.75 -19.56 62.59 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.6 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -75.98 -50.25 15.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.128 0.571 . . . . 0.0 110.817 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.66 -30.23 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 122.807 0.443 . . . . 0.0 110.266 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.494 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 81.5 t80 -60.47 -30.52 69.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.737 0.415 . . . . 0.0 111.917 -177.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -74.28 -21.37 59.78 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.124 -0.36 . . . . 0.0 111.618 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -77.47 -18.76 56.84 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 93.0 mt -99.53 -44.35 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.256 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.494 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 77.1 mm-40 -72.71 3.07 5.49 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.31 -15.91 61.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.415 0.286 . . . . 0.0 111.659 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.63 19.62 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 CA-C-O 119.537 -0.59 . . . . 0.0 113.366 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -156.24 -168.19 2.66 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.231 1.016 . . . . 0.0 111.705 -171.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 33.1 m -139.15 -22.06 0.93 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.347 0.659 . . . . 0.0 110.041 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -161.26 104.93 1.23 Allowed Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 124.058 0.943 . . . . 0.0 108.685 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -48.13 -48.04 17.72 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.762 2.975 . . . . 0.0 113.295 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 N--CA 1.456 -0.151 0 C-N-CA 123.205 0.602 . . . . 0.0 110.509 -178.59 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 C5'-C4'-C3' 110.259 -3.494 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 C5'-C4'-C3' 110.704 -3.198 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 38' ' ' ' A' . . . . . 0.443 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 O4'-C1'-N19 111.051 2.851 . 0.103 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 39' ' ' ' G' . . . . . 0.443 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 C3'-C2'-C1' 103.928 2.698 . 0.057 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.447 1 O4'-C1'-N19 113.192 4.992 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.017 1 C5'-C4'-C3' 109.45 -4.034 . 0.094 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 42' ' ' ' C' . . . . . 0.476 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 O4'-C1'-N19 111.871 3.671 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . 0.492 " O4'" ' C6 ' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.41 -3.582 0 O3'-P-O5' 98.7 -2.79 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . 0.492 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.108 0 O4'-C1'-N19 111.46 3.26 . 0.197 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mt -140.2 156.16 46.62 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 172.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -136.3 131.79 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 174.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -127.21 158.02 38.24 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 125.173 1.389 . . . . 0.0 108.302 -175.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -141.4 102.72 4.27 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.736 0.303 . . . . 0.0 110.31 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.509 HH22 ' HB ' ' C' ' 30' ' ' VAL . 0.0 OUTLIER -132.6 170.75 14.75 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HE3' ' OE1' ' C' ' 29' ' ' GLN . 7.9 ptpp? -114.5 175.26 5.56 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 -171.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.404 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 14.6 m -58.77 138.63 19.58 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 CA-C-O 121.034 0.445 . . . . 0.0 111.54 -174.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.46 -12.3 67.91 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.472 -0.627 . . . . 0.0 112.609 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -85.67 -178.83 6.74 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.116 0.958 . . . . 0.0 111.446 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -145.58 165.26 29.17 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.207 0.603 . . . . 0.0 111.584 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.9 mt -143.85 164.28 14.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -137.92 155.68 48.66 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 119.381 0.991 . . . . 0.0 112.562 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.7 mt -141.92 147.66 21.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 C-N-CA 124.054 0.942 . . . . 0.0 108.517 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.91 -140.88 33.9 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -129.21 10.4 5.8 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.739 0.815 . . . . 0.0 109.767 176.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -142.04 10.78 1.97 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.428 0.691 . . . . 0.0 111.616 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -129.1 144.31 38.57 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 CA-C-N 118.707 0.685 . . . . 0.0 110.894 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.0 m -140.85 155.23 46.38 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.2 mm -132.35 145.56 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 m -141.75 147.68 37.75 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.41 HG21 ' HE ' ' A' ' 6' ' ' ARG . 1.6 tp -105.54 108.09 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mt -75.28 -24.87 57.61 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.685 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 150.64 -169.83 30.5 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 174.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 m -135.57 163.86 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 117.48 0.64 . . . . 0.0 111.596 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -151.1 103.04 3.0 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.184 0.994 . . . . 0.0 108.671 175.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.87 -102.62 1.0 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -111.03 -14.69 13.88 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -70.45 148.74 47.96 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.5 t -136.73 109.77 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -83.99 128.21 34.4 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -130.02 155.31 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -170.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.2 153.09 19.33 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 176.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.1 mt -140.55 145.55 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -175.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -139.94 106.62 5.36 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -176.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.75 155.53 41.26 Favored Pre-proline 0 N--CA 1.452 -0.363 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.661 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.05 158.74 46.12 Favored 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 123.49 2.793 . . . . 0.0 111.213 176.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -72.33 -1.56 15.9 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.899 0.381 . . . . 0.0 110.749 175.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -72.21 -7.09 47.35 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.63 1.172 . . . . 0.0 110.818 174.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -138.39 168.36 19.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.46 157.75 20.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.574 0.225 . . . . 0.0 111.222 -175.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -155.79 125.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 123.07 0.548 . . . . 0.0 109.605 177.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -156.19 172.02 19.17 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.613 0.765 . . . . 0.0 109.442 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.408 HH22 ' HB2' ' C' ' 4' ' ' LEU . 8.9 ptp180 -78.07 166.66 22.53 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 175.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -61.15 -21.19 63.54 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -73.49 -47.55 40.3 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.816 -0.552 . . . . 0.0 110.518 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -76.15 -26.8 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -59.28 -32.23 69.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 122.274 -0.266 . . . . 0.0 111.608 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -67.6 -16.73 64.33 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.672 0.789 . . . . 0.0 112.827 -176.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -82.85 -22.5 34.04 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 118.178 0.444 . . . . 0.0 111.808 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.3 mt -90.56 -63.34 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -166.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.74 3.54 0.52 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.581 0.752 . . . . 0.0 112.712 179.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.48 -16.63 49.06 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.75 21.97 0.29 Allowed Glycine 0 C--N 1.339 0.733 0 CA-C-O 119.454 -0.637 . . . . 0.0 112.485 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.97 -27.31 0.21 Allowed 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -172.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.6 m 48.31 18.73 0.17 Allowed 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -176.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.19 65.25 3.51 Favored Pre-proline 0 CA--C 1.533 0.31 0 O-C-N 121.514 -0.741 . . . . 0.0 111.534 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -52.94 171.83 0.21 Allowed 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 124.31 3.34 . . . . 0.0 114.818 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.541 175.269 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 O4'-C1'-N19 112.14 3.94 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 C5'-C4'-C3' 110.341 -3.439 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ' A' . . . . . 0.452 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.907 0 O4'-C1'-N19 111.798 3.598 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.452 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C3'-C2'-C1' 103.787 2.541 . 0.041 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 1 O4'-C1'-N19 112.719 4.519 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.289 0 C5'-C4'-C3' 111.144 -2.904 . 0.108 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ' C' . . . . . 0.44 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.417 -3.006 0 N19-C1'-C2' 109.743 -2.285 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C4'-C3'-C2' 98.804 -3.896 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 0 C3'-C2'-C1' 104.684 3.538 . 0.051 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.8 tpt . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.424 ' C ' HD12 ' C' ' 3' ' ' ILE . 2.6 mt -140.03 150.62 44.62 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 174.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.424 HD12 ' C ' ' C' ' 2' ' ' LEU . 4.5 mp -138.49 133.47 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.408 ' HB2' HH22 ' A' ' 44' ' ' ARG . 1.2 pp -163.14 165.56 24.43 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.9 m -115.71 151.52 34.95 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.289 0.566 . . . . 0.0 110.571 -173.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -144.89 162.37 37.02 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.125 1.37 . . . . 0.0 107.431 -176.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -128.8 168.04 16.46 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 119.743 1.156 . . . . 0.0 110.335 169.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.448 ' HA ' HG13 ' C' ' 22' ' ' ILE . 7.8 m -56.82 134.44 21.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.988 -171.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.41 -0.63 63.7 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.395 -0.669 . . . . 0.0 112.83 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -106.38 -178.91 3.79 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.272 1.036 . . . . 0.0 110.378 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 39.9 m -143.09 167.8 21.24 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -173.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mm -141.31 165.7 18.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 126.631 1.972 . . . . 0.0 106.958 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -139.56 153.95 47.53 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.551 0.614 . . . . 0.0 112.163 -176.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 53.7 mt -141.14 147.36 22.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 123.961 0.904 . . . . 0.0 108.829 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.03 -141.17 37.56 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -129.2 10.46 5.81 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.154 0.582 . . . . 0.0 109.607 176.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -141.9 11.31 2.01 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.398 0.679 . . . . 0.0 111.737 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.49 145.93 34.97 Favored 'Isoleucine or valine' 0 C--N 1.342 0.245 0 CA-C-N 118.667 0.667 . . . . 0.0 110.634 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 56.6 m -141.25 155.67 45.99 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.604 0.762 . . . . 0.0 109.112 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -135.03 143.34 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 32.8 m -142.9 121.76 12.72 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.448 HG13 ' HA ' ' C' ' 8' ' ' VAL . 2.0 tp -79.92 100.52 4.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.44 HD22 ' C2 ' ' B' ' 42' ' ' ' C' . 7.2 mt -69.94 -30.85 68.33 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.187 -0.321 . . . . 0.0 111.447 -175.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.421 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.69 -172.53 35.57 Favored Glycine 0 C--N 1.341 0.817 0 C-N-CA 121.61 -0.329 . . . . 0.0 112.748 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -132.66 164.16 35.85 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-O 121.06 0.457 . . . . 0.0 111.624 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 46.2 t -152.35 92.13 1.66 Allowed 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 124.062 0.945 . . . . 0.0 109.195 176.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.29 -102.01 1.79 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 -178.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -112.61 -16.17 12.88 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 172.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.426 ' OE1' ' HE3' ' A' ' 7' ' ' LYS . 3.3 mp0 -67.53 148.39 51.53 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.509 ' HB ' HH22 ' A' ' 6' ' ' ARG . 63.1 t -138.39 113.37 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -87.29 128.75 35.17 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -133.02 153.52 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -175.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.3 156.72 15.53 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 56.3 mt -140.69 142.98 29.61 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -140.33 107.37 5.45 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.34 156.62 42.74 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 123.601 0.76 . . . . 0.0 109.959 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.27 158.8 50.43 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 123.378 2.719 . . . . 0.0 111.137 175.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 38' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' C' ' 38' ' ' LYS . 10.0 mmmm -73.19 -0.88 15.54 Favored 'General case' 0 C--N 1.339 0.112 0 O-C-N 122.172 -0.33 . . . . 0.0 110.877 174.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.2 -6.72 41.71 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.005 0.922 . . . . 0.0 110.705 172.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -138.92 168.5 19.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 123.974 0.909 . . . . 0.0 108.892 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.23 158.5 18.89 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 111.149 -176.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -158.69 128.87 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -154.87 170.73 20.99 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.718 0.407 . . . . 0.0 110.055 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 26.1 ttp-105 -73.34 158.34 35.27 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 173.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -57.99 -24.7 59.24 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.17 0.441 . . . . 0.0 110.415 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.08 -35.23 74.04 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.501 0.72 . . . . 0.0 111.457 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -91.28 -30.42 4.81 Favored 'Isoleucine or valine' 0 C--N 1.338 0.096 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.421 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 84.8 t80 -54.01 -29.68 44.4 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.877 0.471 . . . . 0.0 111.492 -177.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -62.85 -14.91 51.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.512 0.725 . . . . 0.0 112.54 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -84.51 -42.17 15.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.55 ' N ' HD12 ' C' ' 51' ' ' ILE . 1.2 mp -65.48 -10.21 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.488 1.115 . . . . 0.0 109.555 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.421 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 62.9 mm-40 -120.09 3.17 10.96 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -143.88 1.69 1.15 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 54' ' ' GLY . . . . . 0.406 ' H ' ' H ' ' C' ' 55' ' ' LEU . . . -165.87 -13.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 CA-C-N 118.692 0.678 . . . . 0.0 112.098 178.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.406 ' H ' ' H ' ' C' ' 54' ' ' GLY . 0.9 OUTLIER 58.02 171.59 0.05 Allowed 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.983 2.113 . . . . 0.0 113.35 178.393 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 66.6 p -140.66 1.51 1.73 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.424 -177.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.25 63.41 4.17 Favored Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 122.888 0.475 . . . . 0.0 110.785 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -45.43 -36.4 13.24 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 124.311 3.341 . . . . 0.0 114.329 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 N--CA 1.452 -0.359 0 C-N-CA 122.244 0.218 . . . . 0.0 111.354 -174.955 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 0 C5'-C4'-C3' 110.183 -3.545 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 0 O4'-C1'-N19 111.019 2.819 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 38' ' ' ' A' . . . . . 0.51 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 O4'-C1'-N19 110.989 2.789 . 0.043 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 39' ' ' ' G' . . . . . 0.51 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.034 0 P-O3'-C3' 122.572 2.393 . 0.012 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 1 O4'-C1'-N19 113.852 5.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.379 0 C5'-C4'-C3' 110.818 -3.122 . 0.167 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 42' ' ' ' C' . . . . . 0.573 " H3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.456 1 O4'-C1'-N19 112.543 4.343 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . 0.573 H5'' " H3'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.409 -3.687 0 C4'-C3'-C2' 99.069 -3.631 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . 0.545 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 O4'-C1'-N19 111.713 3.513 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mt -138.81 152.54 47.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.467 ' CD1' " H4'" ' B' ' 42' ' ' ' C' . 4.8 mp -135.7 148.68 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -148.17 169.7 19.45 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.622 0.769 . . . . 0.0 110.17 -175.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -133.63 97.86 4.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 172.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -101.99 163.15 12.4 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 125.088 1.355 . . . . 0.0 108.031 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -129.13 167.53 17.44 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 118.877 0.762 . . . . 0.0 110.885 173.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.463 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 5.8 m -56.11 131.99 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.298 -170.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.95 -4.14 57.43 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.498 177.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -105.55 -179.1 3.84 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.326 1.063 . . . . 0.0 111.108 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 m -141.96 168.48 19.64 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mm -141.39 163.44 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 126.978 2.111 . . . . 0.0 107.129 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -137.8 153.99 49.6 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.73 -0.606 . . . . 0.0 112.205 -175.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.7 mt -141.26 148.29 21.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 123.725 0.81 . . . . 0.0 109.094 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.79 -138.27 38.23 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -129.89 10.5 5.5 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.45 0.7 . . . . 0.0 109.978 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -143.37 11.06 1.7 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.13 0.572 . . . . 0.0 111.83 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.85 145.16 36.1 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 CA-C-N 118.943 0.792 . . . . 0.0 110.834 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 m -141.31 155.78 45.93 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.4 mm -134.63 146.78 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -140.81 145.49 36.36 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.445 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.6 tp -106.11 94.35 3.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.448 HD13 " H1'" ' D' ' 42' ' ' ' C' . 15.8 mt -67.46 -27.67 67.23 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -173.053 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.63 -173.31 35.63 Favored Glycine 0 C--N 1.34 0.778 0 CA-C-N 118.435 0.561 . . . . 0.0 112.742 177.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -136.37 163.3 34.06 Favored 'Isoleucine or valine' 0 C--N 1.34 0.164 0 CA-C-N 117.042 0.421 . . . . 0.0 111.421 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.3 t -152.81 89.57 1.4 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.968 0.907 . . . . 0.0 108.945 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.51 -102.08 1.58 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.076 -1.209 . . . . 0.0 110.076 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -106.85 -16.78 14.38 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 173.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -69.47 148.19 49.87 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.0 t -139.74 114.68 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 ttt-85 -85.72 127.92 34.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -134.02 154.9 38.84 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -170.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.96 156.54 21.22 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.9 mt -140.54 142.23 31.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -140.37 106.05 5.13 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.75 158.0 40.21 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.693 0.797 . . . . 0.0 109.887 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -65.03 159.87 44.4 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 123.154 2.57 . . . . 0.0 110.992 175.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -71.44 -1.59 13.69 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.187 0.518 . . . . 0.0 109.652 173.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.04 -12.37 54.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.087 1.355 . . . . 0.0 110.759 173.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 m -135.96 168.33 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 123.995 0.918 . . . . 0.0 108.767 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.92 157.93 20.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 120.634 0.254 . . . . 0.0 110.375 -176.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.61 125.77 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 177.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -154.02 171.3 19.28 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 122.811 0.444 . . . . 0.0 110.343 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -69.72 157.04 38.04 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 175.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -57.93 -27.86 63.75 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.187 -0.321 . . . . 0.0 110.388 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -63.88 -50.31 69.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.002 0.521 . . . . 0.0 110.314 176.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.3 mm -76.37 -29.29 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.624 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -56.66 -29.53 62.4 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.012 0.525 . . . . 0.0 111.505 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -64.32 -14.53 56.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.966 0.506 . . . . 0.0 111.726 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -81.85 -35.87 28.87 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.485 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 1.0 OUTLIER -70.15 -9.77 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.504 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -116.09 -7.99 11.84 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -150.19 4.1 0.53 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.65 1.114 . . . . 0.0 113.751 -177.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.72 56.69 0.24 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 107.933 -2.067 . . . . 0.0 107.933 -176.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.797 ' H ' HD22 ' A' ' 55' ' ' LEU . 1.6 mm? -44.36 152.22 0.21 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.195 1.798 . . . . 0.0 114.153 -167.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.3 p -133.46 8.72 3.95 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.14 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.99 72.77 10.31 Favored Pre-proline 0 CA--C 1.534 0.342 0 C-N-CA 124.43 1.092 . . . . 0.0 109.144 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -42.85 -38.15 6.57 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 125.193 3.929 . . . . 0.0 115.693 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.761 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 O4'-C1'-N19 112.035 3.835 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 1 O4'-C1'-N19 112.461 4.261 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ' A' . . . . . 0.477 " H1'" ' N7 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O4'-C1'-N19 111.595 3.395 . 0.182 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.477 ' N7 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C3'-C2'-C1' 103.794 2.549 . 0.063 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 1 O4'-C1'-N19 115.141 6.941 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ' A' . . . . . 0.401 ' C8 ' ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.998 0 C5'-C4'-C3' 110.038 -3.641 . 0.149 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ' C' . . . . . 0.467 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 O4'-C1'-N19 111.699 3.499 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . 0.456 ' C8 ' " H3'" ' B' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.251 0 O3'-P-O5' 98.889 -2.69 . 0.096 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . 0.423 ' C6 ' " O4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 O4'-C1'-N19 111.325 3.125 . 0.01 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.6 tpt . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 119.549 -0.262 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mt -134.45 153.72 51.77 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.483 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 4.5 mp -135.21 152.2 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.0 mt -145.13 165.66 27.65 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.981 0.912 . . . . 0.0 109.65 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.29 100.2 4.06 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 170.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.697 HH21 HG22 ' C' ' 22' ' ' ILE . 9.6 ttp180 -116.16 176.57 5.04 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.339 1.055 . . . . 0.0 109.898 -174.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -131.8 170.48 14.78 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 118.27 0.486 . . . . 0.0 112.228 176.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.431 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.7 m -56.23 129.95 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.757 -173.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.92 -19.47 35.34 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.241 -0.755 . . . . 0.0 113.498 177.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.71 177.54 7.0 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.7 1.25 . . . . 0.0 111.835 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -142.61 163.95 31.43 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.745 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 39.5 mm -139.71 167.29 19.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 126.051 1.74 . . . . 0.0 107.447 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -136.04 153.7 51.27 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.272 0.487 . . . . 0.0 111.91 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 51.2 mt -140.1 154.17 23.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 C-N-CA 124.274 1.03 . . . . 0.0 108.673 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.66 -140.28 41.06 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -129.74 10.22 5.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.635 0.774 . . . . 0.0 109.296 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -146.81 13.64 1.16 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.367 0.667 . . . . 0.0 111.885 -176.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -127.03 148.41 31.85 Favored 'Isoleucine or valine' 0 C--N 1.343 0.303 0 CA-C-N 119.085 0.857 . . . . 0.0 110.804 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.0 m -141.07 154.75 46.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -133.71 146.38 31.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -141.86 148.18 38.36 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.697 HG22 HH21 ' C' ' 6' ' ' ARG . 2.2 tp -106.73 94.57 3.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 mt -66.51 -28.21 68.38 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.121 -0.362 . . . . 0.0 111.7 -173.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.431 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.26 -173.11 35.39 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 118.096 0.407 . . . . 0.0 112.33 175.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.44 159.57 38.03 Favored 'Isoleucine or valine' 0 C--N 1.34 0.178 0 CA-C-N 117.276 0.538 . . . . 0.0 111.216 178.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 55.7 m -150.92 90.66 1.64 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 124.479 1.111 . . . . 0.0 108.664 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.25 -109.26 2.73 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -177.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -103.03 -16.95 15.64 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.98 145.15 53.84 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 81.9 t -137.38 114.26 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -85.46 125.27 32.9 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -129.83 152.95 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 123.344 0.402 . . . . 0.0 109.943 -171.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.16 154.41 18.9 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 109.999 -1.241 . . . . 0.0 109.999 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -140.32 139.82 35.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -137.98 105.99 5.7 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.17 155.95 50.58 Favored Pre-proline 0 N--CA 1.448 -0.54 0 C-N-CA 123.733 0.813 . . . . 0.0 108.868 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -62.02 153.98 65.15 Favored 'Trans proline' 0 N--CA 1.445 -1.37 0 C-N-CA 122.278 1.985 . . . . 0.0 110.105 178.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -66.03 -4.61 7.53 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.744 0.307 . . . . 0.0 110.308 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -74.19 -7.29 52.15 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 125.88 1.672 . . . . 0.0 112.7 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 24.8 m -132.98 168.41 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.75 154.69 19.67 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 120.975 0.417 . . . . 0.0 111.624 -175.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -157.88 127.51 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.165 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -153.63 172.86 16.57 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.72 0.408 . . . . 0.0 109.913 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 mtp-105 -72.0 158.9 35.14 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -59.01 -27.1 65.12 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.127 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -66.43 -38.03 86.51 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.152 0.581 . . . . 0.0 111.469 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.9 mm -90.95 -27.99 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-O 120.613 0.244 . . . . 0.0 110.775 -172.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.419 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 84.2 t80 -55.49 -28.75 56.46 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.446 0.699 . . . . 0.0 111.409 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -63.45 -14.1 47.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.371 0.669 . . . . 0.0 112.06 -177.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -85.09 -42.99 14.29 Favored 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.543 ' N ' HD12 ' C' ' 51' ' ' ILE . 1.1 mp -64.27 -11.4 10.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 124.183 0.993 . . . . 0.0 109.556 -178.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.419 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 66.2 mm-40 -119.2 2.08 11.37 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 178.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -144.86 1.29 1.0 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 54' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' C' ' 55' ' ' LEU . . . -162.96 -9.96 0.03 OUTLIER Glycine 0 CA--C 1.528 0.863 0 CA-C-N 118.794 0.725 . . . . 0.0 112.189 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.405 ' H ' ' H ' ' C' ' 54' ' ' GLY . 0.8 OUTLIER 52.63 -170.01 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.749 2.019 . . . . 0.0 113.072 177.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 79.0 p -130.89 7.75 4.76 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 122.82 0.448 . . . . 0.0 110.713 -178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.59 119.41 2.43 Favored Pre-proline 0 N--CA 1.453 -0.283 0 C-N-CA 123.397 0.679 . . . . 0.0 109.557 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -50.28 -41.98 48.89 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.777 2.985 . . . . 0.0 112.963 176.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -175.543 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 C5'-C4'-C3' 110.843 -3.105 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C5'-C4'-C3' 111.03 -2.98 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 38' ' ' ' A' . . . . . 0.445 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.668 2 O4'-C1'-N19 112.87 4.67 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear build full ' D' D ' 39' ' ' ' G' . . . . . 0.445 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 C3'-C2'-C1' 104.129 2.921 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 1 O4'-C1'-N19 113.595 5.395 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 0 C5'-C4'-C3' 110.024 -3.65 . 0.089 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 42' ' ' ' C' . . . . . 0.483 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.974 0 O4'-C1'-N19 111.794 3.594 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . 0.401 ' C8 ' " H3'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 O3'-P-O5' 98.631 -2.826 . 0.144 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 C5'-C4'-C3' 111.001 -3.0 . 0.464 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 tpt . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.424 ' C ' HD12 ' A' ' 3' ' ' ILE . 5.4 mt -140.51 152.73 45.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 176.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.46 ' CD1' " H4'" ' B' ' 42' ' ' ' C' . 4.3 mp -135.39 146.54 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 176.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.6 mt -147.32 168.47 21.7 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.881 0.872 . . . . 0.0 109.671 -176.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -130.86 97.24 4.28 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 173.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -103.8 157.33 17.15 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.921 1.689 . . . . 0.0 108.175 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -118.94 170.8 8.72 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 119.678 1.126 . . . . 0.0 111.379 173.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.457 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 12.1 m -57.48 135.6 21.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.93 -173.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.34 -0.6 66.13 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.303 176.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -105.77 -178.36 3.63 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 117.877 0.838 . . . . 0.0 110.385 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.5 m -141.35 168.38 19.92 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -173.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 mm -140.98 166.05 18.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 126.458 1.903 . . . . 0.0 107.032 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -140.66 153.98 46.22 Favored 'General case' 0 N--CA 1.458 -0.075 0 O-C-N 121.315 -0.866 . . . . 0.0 111.652 -174.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.2 mt -141.72 147.78 21.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 C-N-CA 123.853 0.861 . . . . 0.0 109.02 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.88 -139.72 27.8 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -178.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -130.09 11.0 5.47 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.285 0.634 . . . . 0.0 110.244 176.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -138.97 10.21 2.6 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.395 0.678 . . . . 0.0 111.774 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.19 145.14 36.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.158 0 CA-C-N 118.841 0.746 . . . . 0.0 110.683 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.9 m -141.38 156.23 45.84 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.8 mm -135.31 148.79 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -139.21 155.55 47.72 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -178.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.418 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 tp -121.3 86.97 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.402 HD22 ' C2 ' ' D' ' 42' ' ' ' C' . 6.8 mt -63.8 -28.46 69.88 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.941 -0.475 . . . . 0.0 112.001 -171.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.457 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.39 -174.09 38.76 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-N 118.434 0.561 . . . . 0.0 113.119 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.92 163.95 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 121.1 0.476 . . . . 0.0 111.396 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.1 t -151.42 89.65 1.51 Allowed 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 123.954 0.902 . . . . 0.0 108.886 175.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.33 -102.57 1.38 Allowed Glycine 0 CA--C 1.528 0.847 0 N-CA-C 109.744 -1.343 . . . . 0.0 109.744 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -106.33 -17.0 14.42 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 117.305 0.552 . . . . 0.0 109.629 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.459 HE21 ' HA ' ' A' ' 29' ' ' GLN . 0.8 OUTLIER -70.34 147.7 49.3 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.6 t -136.61 119.73 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' HG3' ' H61' ' D' ' 43' ' ' ' A' . 0.0 OUTLIER -87.17 118.32 26.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.413 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -125.83 151.24 31.79 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.14 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -171.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.61 155.78 19.09 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.6 mt -142.04 143.26 26.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -176.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -140.33 107.36 5.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.83 156.35 41.08 Favored Pre-proline 0 N--CA 1.451 -0.394 0 C-N-CA 123.545 0.738 . . . . 0.0 110.135 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.27 159.1 48.83 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 123.652 2.902 . . . . 0.0 111.324 175.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -73.25 -0.75 15.32 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.696 0.284 . . . . 0.0 110.475 174.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -71.16 -6.33 38.6 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.889 0.876 . . . . 0.0 110.717 172.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m -138.95 168.25 19.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 C-N-CA 123.864 0.865 . . . . 0.0 109.087 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.61 158.66 18.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.823 0.344 . . . . 0.0 111.061 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.401 HG13 HD12 ' C' ' 2' ' ' LEU . 0.8 OUTLIER -158.43 131.88 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 174.762 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -153.6 170.78 19.99 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -65.47 152.09 44.8 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 171.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -64.75 -10.32 26.69 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.616 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -74.94 -48.01 26.67 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.079 0.551 . . . . 0.0 109.852 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.27 -29.7 28.78 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 C-N-CA 123.153 0.581 . . . . 0.0 110.36 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.432 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 75.4 t80 -62.29 -30.38 71.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.203 -0.311 . . . . 0.0 111.443 -178.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -75.26 -21.27 58.68 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.153 -0.342 . . . . 0.0 111.354 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -75.84 -18.1 59.58 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.8 mt -99.11 -44.75 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 122.979 0.511 . . . . 0.0 109.925 -174.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.432 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 76.7 mm-40 -71.58 3.16 4.18 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 122.134 -0.354 . . . . 0.0 111.905 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.41 -17.52 64.6 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 122.091 -0.381 . . . . 0.0 111.423 176.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.65 19.45 0.06 OUTLIER Glycine 0 CA--C 1.527 0.783 0 CA-C-O 119.432 -0.649 . . . . 0.0 113.861 177.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -156.57 -171.68 3.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.396 1.098 . . . . 0.0 112.099 -171.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.3 m -142.89 6.56 1.59 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.914 0.486 . . . . 0.0 110.565 176.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.76 77.29 7.87 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 123.037 0.535 . . . . 0.0 110.41 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -49.67 153.7 5.31 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 124.741 3.627 . . . . 0.0 114.019 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 CA--C 1.539 0.529 0 C-N-CA 124.592 1.157 . . . . 0.0 113.035 175.868 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 O4'-C1'-N19 110.555 2.355 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C5'-C4'-C3' 110.847 -3.102 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ' A' . . . . . 0.53 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 O4'-C1'-N19 111.578 3.378 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.53 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 C3'-C2'-C1' 103.869 2.632 . 0.077 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 3 O4'-C1'-N19 115.552 7.352 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 C4'-C3'-C2' 100.247 -2.453 . 0.32 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ' C' . . . . . 0.518 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.411 -3.474 0 C4'-C3'-C2' 99.288 -3.412 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 O4'-C1'-N19 111.671 3.471 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.828 0 C5'-C4'-O4' 113.231 2.88 . 0.0 OUTLIER '7D dist 5p wannabe' 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpt . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 119.579 -0.248 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.401 HD12 HG13 ' A' ' 42' ' ' VAL . 5.8 mt -140.38 152.88 46.11 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.167 0.439 . . . . 0.0 110.16 176.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.403 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 5.2 mp -136.79 148.12 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.015 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -146.2 165.64 28.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.818 0.847 . . . . 0.0 110.148 -175.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -135.15 96.37 3.48 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 121.235 0.541 . . . . 0.0 109.595 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.08 -178.84 3.87 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 124.231 1.013 . . . . 0.0 108.876 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -133.28 173.35 11.55 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 172.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.438 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 9.4 m -60.89 132.9 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-O 121.177 0.513 . . . . 0.0 111.25 -174.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.56 -8.97 62.31 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.947 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -87.5 178.56 6.77 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 118.014 0.907 . . . . 0.0 111.336 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.5 m -145.43 168.72 19.87 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.085 0.554 . . . . 0.0 111.901 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 34.9 mt -146.48 164.3 8.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 125.804 1.642 . . . . 0.0 107.042 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -133.94 153.75 51.55 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.319 0.963 . . . . 0.0 111.929 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 45.3 mt -142.07 141.42 28.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 177.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.36 -139.37 38.45 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -175.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -131.3 10.5 4.88 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.033 0.533 . . . . 0.0 109.705 175.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -138.28 9.57 2.73 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.31 0.644 . . . . 0.0 111.692 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.37 141.35 46.14 Favored 'Isoleucine or valine' 0 C--N 1.337 0.053 0 CA-C-N 118.633 0.651 . . . . 0.0 109.752 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -137.46 157.12 47.26 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -133.07 147.81 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -143.61 144.2 31.81 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.407 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.6 tp -106.06 100.63 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 177.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.518 HD13 " H1'" ' B' ' 42' ' ' ' C' . 12.9 mt -71.71 -28.87 63.99 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 122.01 -0.431 . . . . 0.0 111.312 -174.072 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.438 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.77 -174.15 37.38 Favored Glycine 0 C--N 1.339 0.73 0 CA-C-N 118.286 0.494 . . . . 0.0 113.178 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.31 162.59 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-O 121.023 0.44 . . . . 0.0 111.694 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -150.91 89.26 1.52 Allowed 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.04 -102.49 1.24 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -107.55 -18.98 13.7 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 117.392 0.596 . . . . 0.0 109.821 175.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -69.72 147.9 49.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 176.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -138.34 116.44 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -80.17 115.87 19.97 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -123.6 151.21 28.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -175.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 154.54 19.32 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.2 mt -140.33 137.74 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -175.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -133.42 98.52 4.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -174.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.68 153.32 61.45 Favored Pre-proline 0 N--CA 1.452 -0.352 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.82 151.88 81.75 Favored 'Trans proline' 0 N--CA 1.444 -1.402 0 C-N-CA 122.473 2.115 . . . . 0.0 109.771 176.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -63.7 -8.48 10.4 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-O 121.461 0.648 . . . . 0.0 110.846 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.62 -8.99 16.38 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 125.483 1.513 . . . . 0.0 112.164 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -134.29 168.03 24.73 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.89 154.52 19.54 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.71 -0.396 . . . . 0.0 112.005 -174.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -160.36 130.58 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.16 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -157.07 171.87 19.69 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 124.336 1.054 . . . . 0.0 108.886 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -82.17 164.19 21.43 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 171.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -22.18 48.98 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -174.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -65.31 -43.23 91.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 119.034 0.834 . . . . 0.0 109.998 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.01 -28.79 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -63.64 -35.31 80.11 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.973 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -67.08 -13.7 62.18 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.507 0.723 . . . . 0.0 112.581 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -86.59 -23.07 25.89 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 118.333 0.515 . . . . 0.0 112.102 174.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.418 ' HA ' HD12 ' C' ' 55' ' ' LEU . 56.1 mt -89.06 -59.9 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 -167.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -3.58 0.53 Allowed 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 178.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.67 -14.35 62.37 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 122.868 0.467 . . . . 0.0 111.209 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.75 25.44 0.05 OUTLIER Glycine 0 CA--C 1.527 0.795 0 CA-C-O 119.741 -0.477 . . . . 0.0 112.463 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' C' ' 51' ' ' ILE . 23.7 mt -127.54 -2.0 6.15 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.113 0.957 . . . . 0.0 112.919 -171.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 21.7 p -72.07 -9.32 58.25 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 118.331 0.514 . . . . 0.0 111.367 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.89 79.64 5.71 Favored Pre-proline 0 N--CA 1.452 -0.357 0 C-N-CA 123.432 0.693 . . . . 0.0 109.762 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.99 174.18 0.07 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 124.947 3.765 . . . . 0.0 114.371 177.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--O 1.232 0.136 0 C-N-CA 123.829 0.852 . . . . 0.0 112.65 -177.579 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 O4'-C1'-N19 112.178 3.978 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C5'-C4'-C3' 110.483 -3.345 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 38' ' ' ' A' . . . . . 0.439 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.972 0 O4'-C1'-N19 111.543 3.343 . 0.087 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 39' ' ' ' G' . . . . . 0.439 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C3'-C2'-C1' 104.286 3.095 . 0.057 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.542 1 O4'-C1'-N19 112.976 4.776 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C5'-C4'-C3' 110.237 -3.509 . 0.094 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 42' ' ' ' C' . . . . . 0.6 " H3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 C4'-C3'-C2' 98.896 -3.804 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . 0.6 H5'' " H3'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.743 1 O4'-C1'-N19 114.961 6.761 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.44 0 C3'-C2'-C1' 104.182 2.98 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mt -140.13 156.3 46.61 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 174.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.4 ' CD1' ' C8 ' ' B' ' 41' ' ' ' A' . 4.1 mp -132.54 147.54 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.4 HD13 HD12 ' A' ' 12' ' ' ILE . 95.7 mt -148.66 166.71 27.51 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.896 0.879 . . . . 0.0 110.479 -175.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -136.89 102.57 4.91 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.198 0.523 . . . . 0.0 109.836 171.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.456 ' HD2' HD11 ' A' ' 12' ' ' ILE . 6.8 mmp_? -105.15 163.61 12.45 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 124.412 1.085 . . . . 0.0 110.246 178.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HE3' ' HB2' ' C' ' 28' ' ' GLN . 59.1 mtpt -118.69 167.43 11.67 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 11.3 m -62.36 129.19 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.368 -173.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.32 0.38 50.57 Favored Glycine 0 CA--C 1.53 0.98 0 CA-C-O 119.255 -0.747 . . . . 0.0 112.659 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -105.3 177.59 4.81 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.452 1.126 . . . . 0.0 110.859 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -143.48 166.79 23.81 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -173.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.456 HD11 ' HD2' ' A' ' 6' ' ' ARG . 42.6 mm -143.19 167.25 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 126.955 2.102 . . . . 0.0 106.931 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -139.04 157.11 46.58 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.322 -0.861 . . . . 0.0 112.536 -176.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.9 mt -141.24 148.04 21.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 124.176 0.99 . . . . 0.0 108.873 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.77 -140.28 30.58 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -128.58 10.35 6.11 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.526 0.73 . . . . 0.0 110.029 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -142.28 11.4 1.94 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.083 0.553 . . . . 0.0 111.516 -178.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.76 146.47 34.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 119.05 0.841 . . . . 0.0 110.789 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.8 m -140.82 157.51 45.28 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -135.52 146.44 29.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.7 m -142.57 146.51 34.67 Favored 'General case' 0 C--O 1.227 -0.112 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.75 95.11 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 178.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.11 -26.28 66.62 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.64 0.376 . . . . 0.0 111.975 -173.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 156.43 -172.31 34.19 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 118.112 0.415 . . . . 0.0 112.55 176.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 m -134.77 162.54 38.52 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 117.303 0.551 . . . . 0.0 111.524 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -150.37 89.55 1.58 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.289 1.035 . . . . 0.0 108.742 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.77 -102.64 1.33 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -107.42 -18.27 13.9 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 117.41 0.605 . . . . 0.0 109.796 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -68.11 147.74 51.9 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 175.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -136.24 116.41 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -86.17 127.15 34.67 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -132.22 155.01 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -170.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.15 154.45 20.57 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.5 mt -140.41 135.17 35.6 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -131.99 98.29 4.4 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.216 0.531 . . . . 0.0 109.942 -173.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.46 153.25 55.15 Favored Pre-proline 0 N--CA 1.447 -0.604 0 C-N-CA 124.398 1.079 . . . . 0.0 108.133 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.23 152.89 73.54 Favored 'Trans proline' 0 N--CA 1.443 -1.463 0 C-N-CA 122.076 1.85 . . . . 0.0 109.452 176.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -2.99 2.67 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 121.821 0.82 . . . . 0.0 110.568 175.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.39 -12.55 31.47 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 126.284 1.833 . . . . 0.0 111.897 173.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 m -132.86 166.77 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.759 0.824 . . . . 0.0 108.808 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.68 152.19 20.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.886 0.374 . . . . 0.0 111.043 -177.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -159.83 130.26 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 122.905 0.482 . . . . 0.0 109.809 173.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -155.87 172.11 18.92 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.84 0.856 . . . . 0.0 109.395 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -79.02 166.37 22.41 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 170.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -20.89 60.24 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -176.229 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -68.25 -48.44 65.09 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 118.477 0.581 . . . . 0.0 109.875 -178.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.14 -28.56 20.82 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -177.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.493 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 74.3 t80 -64.2 -38.36 90.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 122.359 -0.213 . . . . 0.0 111.065 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -68.11 -19.22 64.82 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.715 0.406 . . . . 0.0 111.896 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -76.58 -21.68 55.29 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.475 ' HA ' HD12 ' A' ' 55' ' ' LEU . 84.6 mt -99.45 -34.13 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.711 0.804 . . . . 0.0 110.955 -173.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.69 HE22 HG21 ' A' ' 56' ' ' THR . 8.5 mm100 -78.29 3.0 16.63 Favored 'General case' 0 C--O 1.231 0.112 0 O-C-N 122.195 -0.316 . . . . 0.0 111.69 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.43 -9.57 49.48 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 122.85 0.46 . . . . 0.0 110.985 174.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.05 44.51 0.17 Allowed Glycine 0 C--N 1.342 0.903 0 CA-C-O 119.486 -0.619 . . . . 0.0 112.12 176.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 51' ' ' ILE . 5.4 mt -135.29 2.59 3.03 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -169.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.69 HG21 HE22 ' A' ' 52' ' ' GLN . 47.1 p -71.28 -12.3 61.37 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.037 0.835 . . . . 0.0 111.951 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.43 71.03 5.54 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 123.632 0.773 . . . . 0.0 109.908 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -48.47 -38.29 34.95 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 124.362 3.375 . . . . 0.0 114.381 -177.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 t70 . . . . . 0 N--CA 1.454 -0.269 0 C-N-CA 122.501 0.32 . . . . 0.0 111.579 -175.279 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C5'-C4'-C3' 109.884 -3.744 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 1 O4'-C1'-N19 112.324 4.124 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ' A' . . . . . 0.434 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C5'-C4'-C3' 111.141 -2.906 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.434 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.375 1 C5'-C4'-C3' 108.241 -4.839 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.523 2 O4'-C1'-N19 115.516 7.316 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ' A' . . . . . 0.4 ' C8 ' ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.766 0 C5'-C4'-C3' 110.333 -3.444 . 0.131 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ' C' . . . . . 0.595 " C2'" " H5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C3'-C2'-C1' 104.331 3.146 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . 0.595 " H5'" " C2'" ' B' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.374 0 O5'-C5'-C4' 114.123 2.802 OUTLIER-DELTA 0.01 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . 0.593 ' C6 ' " H4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 P--O5' 1.628 3.506 0 C5'-C4'-O4' 114.656 3.897 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' C' ' 2' ' ' LEU . 4.6 mt -140.26 152.92 46.31 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.455 HD13 ' C8 ' ' D' ' 41' ' ' ' A' . 4.0 mp -128.88 140.07 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.48 HD13 ' C2 ' ' D' ' 38' ' ' ' A' . 4.2 mm? -132.61 163.37 29.05 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.261 1.424 . . . . 0.0 109.098 -173.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.88 110.34 7.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 169.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -125.41 151.02 46.72 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 124.402 1.081 . . . . 0.0 109.297 -172.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -114.0 168.8 9.5 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 119.385 0.993 . . . . 0.0 111.417 176.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.459 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 9.1 m -57.29 132.48 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.011 -172.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.22 1.1 61.15 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.428 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -110.32 -178.73 3.58 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 117.767 0.783 . . . . 0.0 110.223 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 43.8 m -143.28 168.7 19.17 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -170.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 58.7 mt -142.28 164.6 17.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 125.899 1.68 . . . . 0.0 106.61 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -140.67 153.73 46.1 Favored 'General case' 0 C--O 1.23 0.05 0 O-C-N 121.064 -1.023 . . . . 0.0 112.335 -173.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mt -141.26 150.46 19.98 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 C-N-CA 123.692 0.797 . . . . 0.0 109.096 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.03 -139.56 33.03 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -129.73 10.57 5.58 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.284 0.633 . . . . 0.0 109.738 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -143.2 11.34 1.75 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.435 0.694 . . . . 0.0 111.426 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.3 143.7 40.38 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 CA-C-N 118.929 0.786 . . . . 0.0 110.922 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -140.87 157.59 45.16 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -133.46 146.18 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.2 m -138.56 143.78 39.58 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.403 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.0 OUTLIER -105.46 91.36 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.783 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.552 ' CD1' " H1'" ' B' ' 42' ' ' ' C' . 16.8 mt -62.63 -31.73 72.63 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.853 -173.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.459 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 162.19 -173.15 38.46 Favored Glycine 0 C--N 1.337 0.602 0 O-C-N 122.124 -0.36 . . . . 0.0 112.335 178.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -134.45 163.29 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-O 121.054 0.454 . . . . 0.0 110.998 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -150.93 89.57 1.54 Allowed 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 176.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.47 -102.5 1.29 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' GLN . . . . . 0.46 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 72.4 mm-40 -105.62 -18.31 14.12 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 117.022 0.411 . . . . 0.0 110.179 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -71.17 147.08 48.68 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 96.5 t -135.7 114.36 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 ttt-85 -88.11 126.44 35.12 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -130.12 155.23 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 -169.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.09 156.23 20.66 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 76.9 mt -140.21 134.71 36.09 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -131.97 98.67 4.5 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.191 0.52 . . . . 0.0 109.597 -173.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.42 153.28 55.34 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.214 176.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -62.97 152.33 79.87 Favored 'Trans proline' 0 N--CA 1.442 -1.508 0 C-N-CA 122.269 1.979 . . . . 0.0 108.908 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -3.28 2.75 Favored 'General case' 0 N--CA 1.46 0.047 0 CA-C-O 121.681 0.753 . . . . 0.0 110.619 175.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.09 -11.55 30.94 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 126.092 1.757 . . . . 0.0 112.332 173.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 m -133.37 167.92 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.086 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.28 152.38 20.75 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 122.313 -0.242 . . . . 0.0 111.428 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -159.65 127.03 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.23 0.039 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.001 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -154.08 171.52 18.97 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.651 0.381 . . . . 0.0 110.446 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.436 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 79.3 ttt180 -67.89 154.58 41.27 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 174.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -59.32 -21.09 59.21 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.934 0.397 . . . . 0.0 110.686 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 46' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 20.6 tp10 -68.64 -48.5 63.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.296 0.638 . . . . 0.0 110.608 177.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -77.24 -25.86 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-O 120.856 0.36 . . . . 0.0 110.391 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.49 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 85.1 t80 -61.5 -28.73 69.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.541 0.737 . . . . 0.0 112.005 -178.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -72.78 -21.41 61.0 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -177.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -76.54 -19.49 57.88 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 89.7 mt -99.37 -46.97 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 123.13 0.572 . . . . 0.0 110.208 -172.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.49 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 71.7 mm-40 -70.29 2.4 3.84 Favored 'General case' 0 C--N 1.334 -0.091 0 O-C-N 121.971 -0.456 . . . . 0.0 112.048 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.43 -16.31 62.17 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 122.586 0.354 . . . . 0.0 111.05 174.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.84 19.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 CA-C-O 118.829 -0.984 . . . . 0.0 113.971 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.401 ' C ' HD12 ' C' ' 55' ' ' LEU . 3.5 pp -158.17 -176.81 6.12 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 119.101 1.451 . . . . 0.0 113.292 -169.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.4 p -144.05 9.4 1.48 Allowed 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 124.956 1.302 . . . . 0.0 109.907 172.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.92 121.96 4.17 Favored Pre-proline 0 N--CA 1.452 -0.358 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -45.77 -38.1 17.12 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 124.383 3.389 . . . . 0.0 114.312 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 36.0 t70 . . . . . 0 N--CA 1.454 -0.275 0 C-N-CA 122.101 0.16 . . . . 0.0 111.339 -176.383 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.822 0 C5'-C4'-C3' 110.389 -3.408 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 C5'-C4'-C3' 111.026 -2.983 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 38' ' ' ' A' . . . . . 0.538 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.839 0 O4'-C1'-N19 111.315 3.115 . 0.088 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 39' ' ' ' G' . . . . . 0.538 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 P-O3'-C3' 122.043 1.953 . 0.092 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 2 O4'-C1'-N19 115.437 7.237 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 41' ' ' ' A' . . . . . 0.455 ' C8 ' HD13 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 C5'-C4'-C3' 110.955 -3.03 . 0.157 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 42' ' ' ' C' . . . . . 0.421 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.889 0 O4'-C1'-N19 111.489 3.289 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.938 0 O5'-C5'-C4' 112.618 1.727 . 0.14 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C5'-C4'-C3' 110.967 -3.022 . 0.477 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.448 ' HG ' " O4'" ' B' ' 40' ' ' ' G' . 0.7 OUTLIER -132.63 156.43 46.94 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.733 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.438 HG22 ' H62' ' B' ' 43' ' ' ' A' . 4.3 mp -131.92 148.37 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.1 mt -142.67 165.22 27.99 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.682 0.793 . . . . 0.0 109.947 -176.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.52 95.92 2.95 Favored 'General case' 0 C--N 1.337 0.051 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 173.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -104.62 178.24 4.62 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.321 1.049 . . . . 0.0 109.038 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HE2' ' OE1' ' C' ' 29' ' ' GLN . 18.5 ptpt -133.15 172.97 11.94 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 118.476 0.58 . . . . 0.0 110.368 171.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.458 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.7 m -58.66 132.93 23.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -171.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.51 -9.0 58.77 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.576 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -92.77 179.03 5.6 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.226 1.013 . . . . 0.0 111.23 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.8 m -142.88 168.03 20.66 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.133 0.492 . . . . 0.0 112.018 -174.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mt -145.34 167.32 9.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 125.699 1.6 . . . . 0.0 107.241 -177.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -140.89 154.78 46.29 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 121.441 -0.787 . . . . 0.0 112.663 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.9 mt -140.67 150.4 20.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 124.261 1.024 . . . . 0.0 108.914 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.3 -140.47 36.13 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -129.08 10.51 5.87 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.388 0.675 . . . . 0.0 109.572 177.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -143.92 11.95 1.62 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.553 0.741 . . . . 0.0 111.98 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -127.99 146.29 33.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 CA-C-N 119.19 0.905 . . . . 0.0 110.6 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 42.9 m -138.37 154.75 48.94 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.977 0.911 . . . . 0.0 108.588 177.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -135.19 147.76 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.2 m -141.22 147.15 37.85 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -105.17 94.54 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.57 -27.37 67.67 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.877 -172.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.458 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.56 -171.72 35.36 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.8 m -127.36 162.56 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 CA-C-O 120.957 0.408 . . . . 0.0 110.933 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.5 t -150.43 75.91 1.24 Allowed 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 177.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.17 -138.85 33.24 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.242 -1.543 . . . . 0.0 109.242 -173.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -68.56 -12.12 60.86 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 117.384 0.592 . . . . 0.0 111.787 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.597 ' CG ' HG22 ' C' ' 5' ' ' THR . 1.2 tp-100 -83.65 152.57 24.7 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.6 t -137.34 129.5 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -93.22 126.55 38.39 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mt -134.23 155.14 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -169.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.14 156.78 21.95 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.9 mt -140.38 142.6 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -140.35 106.44 5.21 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.59 157.74 41.03 Favored Pre-proline 0 C--O 1.233 0.213 0 C-N-CA 123.613 0.765 . . . . 0.0 109.51 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -64.32 158.68 47.53 Favored 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 122.96 2.44 . . . . 0.0 110.638 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -69.31 -0.86 6.85 Favored 'General case' 0 CA--C 1.527 0.072 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 173.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.6 -10.32 55.18 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 125.065 1.346 . . . . 0.0 111.271 174.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 m -137.23 168.07 22.04 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 C-N-CA 123.318 0.647 . . . . 0.0 109.646 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.89 155.41 19.37 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.578 0.227 . . . . 0.0 110.882 -177.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -157.11 126.27 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -153.06 171.88 17.72 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 122.699 0.4 . . . . 0.0 110.158 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.9 mtp-105 -72.11 160.81 31.83 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -61.5 -20.81 63.61 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -73.84 -48.53 30.52 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 122.938 0.495 . . . . 0.0 111.0 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.17 -25.46 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.429 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 72.0 t80 -61.85 -37.58 85.02 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 122.032 -0.417 . . . . 0.0 111.068 -178.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -68.27 -21.19 64.82 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 122.635 0.374 . . . . 0.0 111.917 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -73.55 -20.74 60.56 Favored 'General case' 0 C--O 1.227 -0.107 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.503 ' HA ' HD12 ' A' ' 55' ' ' LEU . 80.2 mt -99.61 -33.87 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 124.163 0.985 . . . . 0.0 111.055 -174.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.429 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 24.3 mm-40 -78.46 2.57 18.52 Favored 'General case' 0 CA--C 1.523 -0.089 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.64 -9.36 49.49 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 122.882 0.473 . . . . 0.0 110.896 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.24 42.94 0.17 Allowed Glycine 0 C--N 1.343 0.939 0 CA-C-O 119.515 -0.603 . . . . 0.0 112.387 176.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 51' ' ' ILE . 5.5 mt -133.81 0.23 3.21 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -168.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.415 ' CG2' HE22 ' A' ' 52' ' ' GLN . 41.6 p -69.46 -6.2 28.88 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 118.938 0.79 . . . . 0.0 112.251 -177.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.76 73.88 10.39 Favored Pre-proline 0 CA--C 1.534 0.335 0 C-N-CA 123.487 0.715 . . . . 0.0 110.053 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -49.49 154.3 4.4 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 124.683 3.589 . . . . 0.0 113.83 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 124.345 1.058 . . . . 0.0 112.75 175.539 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 1 C5'-C4'-C3' 108.883 -4.411 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 1 C5'-C4'-C3' 109.355 -4.097 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C5'-C4'-C3' 112.214 -2.191 . 0.251 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.508 " H1'" ' C6 ' ' B' ' 41' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.407 -3.803 1 C4'-C3'-C2' 96.987 -5.713 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . 0.448 " O4'" ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.418 -2.95 1 O4'-C1'-N19 113.838 5.638 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ' A' . . . . . 0.508 ' C6 ' " H1'" ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.365 0 C5'-C4'-C3' 110.938 -3.041 . 0.207 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ' C' . . . . . 0.431 H5'' HD11 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 C4'-C3'-C2' 99.6 -3.1 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . 0.438 ' H62' HG22 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 P-O3'-C3' 124.023 3.603 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.866 0 C3'-C2'-C1' 104.813 3.681 . 0.087 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.421 ' CD2' " H1'" ' D' ' 39' ' ' ' G' . 5.5 mt -135.06 153.22 52.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 175.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.411 ' C ' HD22 ' C' ' 4' ' ' LEU . 4.3 mp -132.94 139.26 49.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.411 HD22 ' C ' ' C' ' 3' ' ' ILE . 4.6 mm? -132.65 163.54 28.72 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.837 1.255 . . . . 0.0 109.498 -174.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.597 HG22 ' CG ' ' A' ' 29' ' ' GLN . 0.7 OUTLIER -137.12 96.7 3.33 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 172.14 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -109.4 139.04 44.86 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 125.196 1.398 . . . . 0.0 110.598 -171.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -84.61 158.97 20.71 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 110.436 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.406 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 23.9 m -61.22 138.62 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.089 0.471 . . . . 0.0 110.072 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.38 1.24 75.3 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.623 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -106.88 179.15 4.35 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.103 0.952 . . . . 0.0 110.195 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -140.53 168.09 20.63 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -171.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 64.6 mt -143.75 164.64 14.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 126.293 1.837 . . . . 0.0 106.797 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -136.85 154.16 50.58 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 121.378 -0.826 . . . . 0.0 112.357 -175.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.5 mt -139.8 149.88 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.88 -140.06 35.32 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -129.23 10.48 5.8 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 123.677 0.791 . . . . 0.0 109.719 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -145.12 12.83 1.41 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.564 0.746 . . . . 0.0 111.862 -175.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.59 145.83 34.94 Favored 'Isoleucine or valine' 0 C--N 1.342 0.28 0 CA-C-N 118.7 0.682 . . . . 0.0 110.439 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 58.6 m -140.62 154.45 46.45 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.601 0.76 . . . . 0.0 109.025 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.4 mm -134.07 141.58 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 52.3 m -140.3 121.4 14.73 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.406 HG22 ' H ' ' C' ' 22' ' ' ILE . 1.4 tp -76.56 101.78 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 176.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 22.9 mt -70.79 -27.26 63.78 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 122.119 -0.363 . . . . 0.0 111.837 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.406 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 155.89 -170.89 33.75 Favored Glycine 0 C--N 1.338 0.675 0 CA-C-N 118.274 0.488 . . . . 0.0 112.814 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.02 160.72 41.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 121.304 0.573 . . . . 0.0 111.084 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -150.4 89.38 1.57 Allowed 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.96 -102.84 1.6 Allowed Glycine 0 C--N 1.337 0.585 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -106.63 -16.62 14.46 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 174.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.429 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 2.8 mp0 -67.65 152.5 45.52 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -140.54 110.25 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 N-CA-C 105.147 -2.168 . . . . 0.0 105.147 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -84.86 132.62 34.37 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -135.47 154.12 34.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -170.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.72 152.16 19.22 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.3 mt -140.14 145.53 26.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -140.66 107.14 5.29 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.85 155.76 44.39 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 123.265 0.626 . . . . 0.0 110.477 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.95 157.22 53.94 Favored 'Trans proline' 0 N--CA 1.45 -1.088 0 C-N-CA 123.586 2.857 . . . . 0.0 111.236 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -71.81 -1.44 14.12 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 120.917 0.389 . . . . 0.0 110.615 176.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -71.18 -7.32 45.95 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.269 1.028 . . . . 0.0 110.524 172.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.19 169.6 17.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 124.048 0.939 . . . . 0.0 109.112 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.95 159.5 19.03 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 122.258 -0.276 . . . . 0.0 111.038 -176.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 p -156.41 122.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 123.468 0.707 . . . . 0.0 109.275 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -153.32 176.74 11.64 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 122.803 0.441 . . . . 0.0 110.073 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 161.23 29.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 175.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -60.35 -24.32 64.97 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 120.712 0.291 . . . . 0.0 110.862 -177.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -67.99 -48.01 66.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.159 0.584 . . . . 0.0 110.919 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm -77.45 -24.49 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 CA-C-O 120.668 0.27 . . . . 0.0 110.918 -173.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.511 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 81.8 t80 -61.68 -28.6 69.51 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.994 0.517 . . . . 0.0 111.696 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -73.6 -21.81 60.21 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 122.41 0.284 . . . . 0.0 111.519 -178.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -77.56 -18.5 56.87 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 122.808 0.443 . . . . 0.0 109.897 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 91.7 mt -99.42 -46.42 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.224 -172.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.511 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 80.6 mm-40 -71.19 3.25 3.7 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.74 -14.84 63.04 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 122.865 0.466 . . . . 0.0 111.691 176.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.19 16.19 0.06 OUTLIER Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.341 -0.699 . . . . 0.0 113.792 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -155.97 -167.38 2.45 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.333 1.066 . . . . 0.0 111.545 -171.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 14.8 m -136.92 -7.1 1.86 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.031 0.532 . . . . 0.0 110.605 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.97 102.34 2.83 Favored Pre-proline 0 N--CA 1.452 -0.358 0 C-N-CA 123.224 0.609 . . . . 0.0 109.429 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -47.26 -35.6 20.69 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 124.556 3.504 . . . . 0.0 113.884 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 36.9 t70 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.797 0.332 . . . . 0.0 110.758 -175.657 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 0 C5'-C4'-C3' 112.093 -2.271 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.96 0 C3'-C2'-C1' 103.53 2.256 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 38' ' ' ' A' . . . . . 0.474 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.485 2 O4'-C1'-N19 112.577 4.377 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 39' ' ' ' G' . . . . . 0.474 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.965 0 C3'-C2'-C1' 104.157 2.952 . 0.1 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 1 O4'-C1'-N19 113.67 5.47 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.877 0 C5'-C4'-C3' 109.988 -3.674 . 0.083 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 1 C3'-C2'-C1' 105.104 4.005 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 1 P-O3'-C3' 124.602 4.085 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C5'-C4'-C3' 110.806 -3.13 . 0.214 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 tpt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.413 HD21 " H1'" ' B' ' 39' ' ' ' G' . 5.4 mt -140.26 155.52 46.84 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 173.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -134.62 135.26 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -133.25 162.2 32.43 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.374 1.07 . . . . 0.0 109.803 -170.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -135.66 127.08 28.57 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 169.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.93 178.74 6.55 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 125.304 1.442 . . . . 0.0 107.701 177.036 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -134.89 173.28 11.88 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 118.08 0.4 . . . . 0.0 109.985 170.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.458 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 6.3 m -58.73 124.84 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.215 -172.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.89 1.05 42.3 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.687 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -109.43 -179.26 3.78 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.133 0.966 . . . . 0.0 110.81 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.6 m -145.93 168.16 21.54 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -173.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.7 mt -140.47 164.21 22.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.136 1.775 . . . . 0.0 106.947 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -138.5 154.2 48.8 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 121.394 -0.816 . . . . 0.0 111.908 -174.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -140.63 147.67 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.25 -139.11 34.74 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.319 -1.113 . . . . 0.0 110.319 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -129.56 10.49 5.65 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 123.388 0.675 . . . . 0.0 109.789 176.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -141.77 10.7 2.02 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.549 0.74 . . . . 0.0 111.937 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -128.27 145.26 35.64 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 CA-C-N 118.734 0.697 . . . . 0.0 110.201 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.4 m -141.41 155.32 45.9 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.013 0.925 . . . . 0.0 109.181 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -134.63 145.3 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 m -139.95 146.85 39.69 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.43 HG13 ' HA ' ' A' ' 8' ' ' VAL . 0.9 OUTLIER -105.89 94.37 3.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.093 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.47 -26.08 66.2 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -173.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.458 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.4 -174.32 36.28 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-N 118.387 0.539 . . . . 0.0 112.714 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -138.64 163.77 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 117.37 0.585 . . . . 0.0 111.456 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -151.09 89.69 1.54 Allowed 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.831 0.852 . . . . 0.0 109.014 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.51 -102.48 1.39 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -106.44 -16.53 14.52 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 117.349 0.574 . . . . 0.0 109.841 175.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -68.77 147.09 52.29 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.4 t -138.9 114.33 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -84.16 126.62 33.29 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -132.62 154.97 40.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -171.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.17 154.87 20.76 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 177.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.7 mt -140.16 143.05 30.46 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -140.54 106.49 5.18 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -175.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.26 157.14 42.82 Favored Pre-proline 0 N--CA 1.45 -0.432 0 O-C-N 123.841 0.713 . . . . 0.0 110.16 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.15 159.44 46.83 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 123.561 2.841 . . . . 0.0 111.256 175.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 9.4 mmmm -74.24 -1.02 18.79 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 122.183 -0.323 . . . . 0.0 110.865 175.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.39 -7.48 43.32 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.013 0.925 . . . . 0.0 110.595 172.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.13 168.41 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.23 1.012 . . . . 0.0 108.522 178.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.67 160.64 19.11 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.615 0.245 . . . . 0.0 110.988 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.64 129.84 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -154.52 173.97 15.56 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.073 0.549 . . . . 0.0 109.743 177.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.9 mtm105 -74.32 162.45 28.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 173.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -59.97 -28.18 67.45 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.317 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -65.37 -38.93 91.53 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.035 0.534 . . . . 0.0 111.432 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.6 mm -91.72 -27.43 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 122.365 0.266 . . . . 0.0 110.774 -172.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -56.25 -29.85 61.62 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.966 0.506 . . . . 0.0 111.002 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -62.15 -15.64 47.26 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.346 0.658 . . . . 0.0 112.56 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -80.26 -40.37 27.09 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 51' ' ' ILE . 1.1 mp -66.89 -14.27 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 124.497 1.119 . . . . 0.0 109.143 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -109.51 3.2 21.02 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -141.81 -2.17 1.21 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -175.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -177.1 -12.69 0.02 OUTLIER Glycine 0 CA--C 1.526 0.743 0 CA-C-N 119.145 0.884 . . . . 0.0 113.119 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.501 ' N ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 66.44 -179.66 0.21 Allowed 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 125.645 1.578 . . . . 0.0 111.896 171.613 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.4 p -136.33 9.02 3.18 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.2 0.6 . . . . 0.0 111.163 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.63 120.86 3.46 Favored Pre-proline 0 N--CA 1.453 -0.293 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -47.85 -34.8 22.88 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 124.649 3.566 . . . . 0.0 114.201 177.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.7 t0 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -173.139 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ' U' . . . . . 0.455 " H4'" ' C5 ' ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C5'-C4'-C3' 109.875 -3.75 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . 0.475 " H3'" ' C8 ' ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.669 1 C5'-C4'-C3' 109.013 -4.325 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ' A' . . . . . 0.475 ' C8 ' " H3'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 O4'-C1'-N19 112.135 3.935 . 0.208 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.473 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 C3'-C2'-C1' 103.812 2.569 . 0.062 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 1 O4'-C1'-N19 113.673 5.473 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.507 0 C5'-C4'-C3' 110.266 -3.489 . 0.122 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ' C' . . . . . 0.463 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.414 -3.235 0 C1'-C2'-O2' 104.562 -2.013 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 P-O3'-C3' 124.082 3.652 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 C3'-C2'-C1' 104.673 3.526 . 0.06 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mt -137.47 156.12 48.52 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.412 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 4.4 mp -133.98 148.32 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -146.2 165.84 27.98 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.05 0.94 . . . . 0.0 109.926 -177.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.48 96.86 3.67 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 171.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.34 162.18 13.91 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 124.877 1.271 . . . . 0.0 109.72 -176.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -121.62 168.2 12.04 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.72 1.145 . . . . 0.0 111.72 174.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.467 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.7 m -57.29 132.39 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.819 -172.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.34 1.15 60.93 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.578 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -108.69 179.78 4.09 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 117.634 0.717 . . . . 0.0 110.202 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 39.6 m -141.98 168.24 20.23 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -170.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.4 mt -144.67 166.6 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 126.001 1.72 . . . . 0.0 106.507 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -140.47 155.69 46.6 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 119.011 0.823 . . . . 0.0 112.168 -177.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 46.2 mt -142.22 153.79 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 124.084 0.953 . . . . 0.0 108.895 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.98 -141.33 33.31 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -128.57 10.44 6.13 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.644 0.778 . . . . 0.0 109.398 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -146.52 13.01 1.19 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.659 0.783 . . . . 0.0 111.763 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.05 147.17 32.71 Favored 'Isoleucine or valine' 0 C--N 1.34 0.196 0 CA-C-N 118.946 0.794 . . . . 0.0 110.696 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 57.6 m -139.94 154.3 47.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -134.01 146.79 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.1 m -139.71 146.95 40.23 Favored 'General case' 0 C--O 1.228 -0.039 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.405 HG13 ' HA ' ' C' ' 8' ' ' VAL . 0.8 OUTLIER -106.78 93.69 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.875 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.463 HD22 ' C2 ' ' B' ' 42' ' ' ' C' . 10.4 mt -66.38 -30.17 70.5 Favored 'General case' 0 C--N 1.341 0.22 0 O-C-N 122.067 -0.395 . . . . 0.0 111.913 -171.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 161.17 -174.89 37.82 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.798 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -137.68 161.96 32.79 Favored 'Isoleucine or valine' 0 C--N 1.338 0.106 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 45.8 t -153.7 113.99 3.96 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 172.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.13 -104.87 1.19 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -177.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -114.76 -13.29 12.05 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 117.096 0.448 . . . . 0.0 110.116 174.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -70.55 149.45 47.11 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -135.06 114.77 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -83.12 126.18 32.31 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -129.74 155.23 41.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 -173.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.62 153.03 19.77 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.8 mt -140.88 143.32 28.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -175.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -140.16 106.92 5.37 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.04 156.78 43.75 Favored Pre-proline 0 C--O 1.233 0.234 0 C-N-CA 123.533 0.733 . . . . 0.0 109.738 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.78 159.37 45.91 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 123.082 2.521 . . . . 0.0 111.038 176.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -73.01 -0.92 15.19 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-O 120.849 0.356 . . . . 0.0 110.663 175.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -72.52 -5.98 40.72 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.288 1.035 . . . . 0.0 110.671 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -138.48 168.45 19.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 123.671 0.788 . . . . 0.0 109.395 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.49 157.35 19.7 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.729 0.3 . . . . 0.0 111.362 -176.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -156.03 130.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.081 0 C-N-CA 122.742 0.417 . . . . 0.0 109.911 175.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -155.46 170.02 22.9 Favored 'General case' 0 C--N 1.338 0.067 0 C-N-CA 123.603 0.761 . . . . 0.0 109.185 176.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 ptt85 -82.44 164.17 21.15 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 175.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -55.36 -27.0 44.45 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -173.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.75 -38.95 80.47 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 122.117 -0.364 . . . . 0.0 111.856 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 22.4 mm -90.76 -28.87 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 110.67 -0.122 . . . . 0.0 110.67 -172.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.416 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 82.0 t80 -55.41 -28.57 54.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.964 0.506 . . . . 0.0 111.643 -178.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -62.61 -16.04 54.64 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.342 0.657 . . . . 0.0 112.424 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -82.36 -43.03 17.92 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.55 ' N ' HD12 ' C' ' 51' ' ' ILE . 1.1 mp -65.01 -10.39 9.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 124.245 1.018 . . . . 0.0 109.501 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.416 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 64.2 mm-40 -119.58 2.63 11.2 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 178.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -145.42 3.58 1.01 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -177.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.99 -12.7 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 CA-C-N 118.689 0.677 . . . . 0.0 112.061 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 55.19 -175.26 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 126.849 2.059 . . . . 0.0 112.746 177.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 70.3 p -135.56 3.6 3.05 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.663 0.385 . . . . 0.0 111.596 -176.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.63 61.89 4.12 Favored Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 122.788 0.435 . . . . 0.0 110.887 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -47.11 -33.44 15.33 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 124.063 3.176 . . . . 0.0 114.045 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 N--CA 1.449 -0.483 0 CA-C-O 121.079 0.466 . . . . 0.0 110.8 -175.566 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 36' ' ' ' U' . . . . . 0.461 " H3'" H5'' ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 C3'-C2'-C1' 105.076 3.973 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 37' ' ' ' C' . . . . . 0.461 H5'' " H3'" ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.784 0 C5'-C4'-C3' 109.648 -3.902 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 38' ' ' ' A' . . . . . 0.415 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C5'-C4'-C3' 111.371 -2.753 . 0.057 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 39' ' ' ' G' . . . . . 0.415 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.938 1 C5'-C4'-C3' 108.776 -4.483 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 1 O4'-C1'-N19 113.494 5.294 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 41' ' ' ' A' . . . . . 0.402 ' C8 ' ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 C5'-C4'-C3' 110.274 -3.484 . 0.106 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 42' ' ' ' C' . . . . . 0.412 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.952 0 O4'-C1'-N19 111.261 3.061 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C4'-C3'-C2' 100.597 -2.103 . 0.15 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 C5'-C4'-C3' 110.888 -3.075 . 0.464 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 2' ' ' LEU . 5.3 mt -132.03 153.18 50.66 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.4 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.6 mp -135.98 137.59 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -130.18 159.09 37.89 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.256 1.422 . . . . 0.0 108.054 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -139.02 96.35 3.1 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 172.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.26 162.55 28.72 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.101 0.961 . . . . 0.0 109.583 -176.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -112.16 176.04 5.18 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -169.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.464 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.3 m -57.87 133.11 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 120.979 0.418 . . . . 0.0 111.135 -174.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.97 -16.72 59.11 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.675 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -73.48 171.27 13.47 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 117.886 0.843 . . . . 0.0 111.293 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -142.27 158.11 44.09 Favored 'General case' 0 CA--C 1.526 0.047 0 C-N-CA 122.585 0.354 . . . . 0.0 110.814 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mm -141.78 165.15 18.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 125.606 1.562 . . . . 0.0 106.846 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -139.27 155.3 47.85 Favored 'General case' 0 C--O 1.233 0.192 0 O-C-N 121.611 -0.68 . . . . 0.0 112.495 -174.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mt -139.93 149.92 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 123.998 0.919 . . . . 0.0 108.852 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.84 -142.07 35.22 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -127.87 10.63 6.53 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.767 0.827 . . . . 0.0 109.476 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -143.66 12.06 1.68 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.174 0.589 . . . . 0.0 111.958 -176.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -127.97 146.27 33.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 CA-C-N 119.174 0.897 . . . . 0.0 110.803 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.9 m -139.76 154.13 47.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.798 0.839 . . . . 0.0 108.865 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mm -134.72 144.99 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.8 m -140.16 147.89 40.81 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.409 HG13 ' HA ' ' A' ' 8' ' ' VAL . 2.3 tp -105.38 99.24 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.52 -27.8 65.48 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.221 -173.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.464 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 157.55 -173.52 34.96 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-N 117.969 0.349 . . . . 0.0 113.153 174.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.3 m -134.69 163.3 37.03 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 C-N-CA 122.662 0.385 . . . . 0.0 111.363 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -150.17 89.69 1.61 Allowed 'General case' 0 C--O 1.232 0.173 0 C-N-CA 124.23 1.012 . . . . 0.0 109.16 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.03 -90.28 0.79 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -114.63 -16.85 11.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 173.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -71.45 152.48 43.04 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -143.08 107.94 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -87.33 130.74 34.51 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -131.57 155.72 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.597 -169.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.49 154.72 20.15 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -139.56 145.48 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -176.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -140.26 107.12 5.39 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.32 157.91 38.84 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 123.77 0.828 . . . . 0.0 109.646 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.94 158.18 52.81 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 123.228 2.618 . . . . 0.0 110.844 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -71.82 -2.43 17.68 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.13 0.491 . . . . 0.0 110.549 176.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -72.4 -6.03 40.62 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.202 1.001 . . . . 0.0 111.143 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.6 167.96 20.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 C-N-CA 123.673 0.789 . . . . 0.0 109.176 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.43 157.25 20.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.362 0.125 . . . . 0.0 111.307 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.433 HG13 HD12 ' C' ' 2' ' ' LEU . 0.7 OUTLIER -156.05 125.51 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.283 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -157.51 170.32 22.7 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 124.061 0.945 . . . . 0.0 109.026 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -78.73 165.29 23.77 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 175.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -58.67 -25.82 63.18 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -172.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -65.01 -45.59 84.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.838 0.351 . . . . 0.0 111.075 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.0 mm -81.8 -24.09 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 120.797 0.332 . . . . 0.0 110.495 -173.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 84.0 t80 . . . . . 0 N--CA 1.454 -0.257 0 C-N-CA 123.165 0.586 . . . . 0.0 111.914 -179.377 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.44 ' C ' HD12 ' C' ' 3' ' ' ILE . 2.4 mt -140.08 149.12 42.7 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.44 HD12 ' C ' ' C' ' 2' ' ' LEU . 4.9 mp -138.29 138.2 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 176.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.76 166.16 26.95 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m -121.73 147.59 45.72 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 121.129 0.49 . . . . 0.0 109.968 -173.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.408 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 3.7 tpm_? -142.55 173.79 11.22 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 124.773 1.229 . . . . 0.0 107.829 -172.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -138.22 170.92 15.19 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 119.707 1.14 . . . . 0.0 110.238 169.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.462 ' HA ' HG13 ' C' ' 22' ' ' ILE . 7.9 m -57.87 132.8 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 120.991 0.424 . . . . 0.0 111.937 -172.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.8 -2.06 58.33 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.597 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -106.76 -178.63 3.7 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 117.991 0.896 . . . . 0.0 110.582 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 46.1 m -142.81 168.27 20.11 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -173.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -141.7 164.15 19.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 126.438 1.895 . . . . 0.0 106.724 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -138.94 154.95 48.37 Favored 'General case' 0 C--O 1.231 0.091 0 O-C-N 121.533 -0.729 . . . . 0.0 112.126 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.1 mt -140.51 145.02 26.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.32 -140.78 35.65 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -130.2 11.11 5.43 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.582 0.753 . . . . 0.0 110.142 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -138.28 10.67 2.77 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.789 0.836 . . . . 0.0 112.007 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -129.28 145.79 35.22 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 119.139 0.881 . . . . 0.0 110.69 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 52.5 m -140.78 155.43 46.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.677 0.791 . . . . 0.0 109.017 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -134.28 142.82 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -139.96 125.38 19.04 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.741 0.305 . . . . 0.0 110.329 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.462 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.5 tp -82.92 98.14 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 177.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.36 -27.57 64.44 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.708 -172.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.437 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.86 -173.26 34.53 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 112.011 -0.435 . . . . 0.0 112.011 177.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -129.63 161.13 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.075 0 CA-C-N 117.181 0.491 . . . . 0.0 111.434 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -150.46 89.96 1.61 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.73 -139.19 34.54 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 108.51 -1.836 . . . . 0.0 108.51 -173.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -72.81 -18.4 61.47 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 117.789 0.795 . . . . 0.0 110.173 176.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.61 149.44 47.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.8 t -137.33 117.62 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -177.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -87.08 125.72 34.31 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -134.17 154.53 37.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -173.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.48 159.07 19.99 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.4 mt -140.57 143.11 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -140.27 106.69 5.29 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.38 156.93 42.62 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 123.477 0.711 . . . . 0.0 109.692 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.57 158.28 50.75 Favored 'Trans proline' 0 N--CA 1.449 -1.13 0 C-N-CA 123.197 2.598 . . . . 0.0 111.261 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -71.52 -2.19 15.99 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.708 0.29 . . . . 0.0 110.813 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -70.36 -7.04 39.76 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.219 1.008 . . . . 0.0 111.027 173.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 m -137.83 168.2 20.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 123.836 0.854 . . . . 0.0 108.992 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.64 158.26 19.48 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.8 0.333 . . . . 0.0 111.26 -175.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.5 127.46 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.058 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -155.27 174.25 15.48 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.092 0.557 . . . . 0.0 110.349 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -73.68 157.47 36.51 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 175.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -57.76 -24.05 55.18 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.292 -0.255 . . . . 0.0 110.764 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.33 -48.77 63.98 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.705 0.402 . . . . 0.0 110.984 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 15.4 mm -75.76 -25.15 17.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.299 -174.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.9 t80 . . . . . 0 N--CA 1.451 -0.404 0 C-N-CA 122.812 0.445 . . . . 0.0 111.516 -178.298 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 tpt . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.414 ' C ' HD12 ' A' ' 3' ' ' ILE . 5.3 mt -138.46 154.28 48.84 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 175.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.414 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.3 mp -137.57 146.56 27.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 177.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -147.34 166.13 28.05 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.628 0.771 . . . . 0.0 110.277 -175.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -132.75 99.41 4.61 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.454 0.645 . . . . 0.0 109.285 171.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -102.88 159.39 15.54 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 125.372 1.469 . . . . 0.0 108.529 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -122.43 170.62 9.78 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.67 1.123 . . . . 0.0 110.79 171.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.463 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 5.9 m -57.24 135.64 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.431 -172.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.7 1.79 70.53 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.569 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -107.15 -179.98 4.09 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 117.907 0.853 . . . . 0.0 110.748 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -145.36 172.19 13.53 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.4 mt -150.94 158.9 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 126.973 2.109 . . . . 0.0 107.019 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -134.13 154.65 51.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.708 0.686 . . . . 0.0 111.239 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.3 mt -140.08 144.68 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.44 -139.63 30.38 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 109.916 -1.273 . . . . 0.0 109.916 -175.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -130.79 10.61 5.11 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.226 0.61 . . . . 0.0 109.428 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -138.21 10.63 2.79 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.354 0.661 . . . . 0.0 111.51 -178.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.67 145.08 36.1 Favored 'Isoleucine or valine' 0 C--N 1.343 0.297 0 CA-C-N 118.393 0.542 . . . . 0.0 110.257 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.9 m -140.23 156.38 46.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -137.11 145.11 30.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.0 m -142.98 146.14 33.64 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.433 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.3 tp -105.51 97.99 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.8 mt -66.88 -29.97 70.0 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -173.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.5 -173.35 36.26 Favored Glycine 0 CA--C 1.526 0.753 0 CA-C-N 118.158 0.435 . . . . 0.0 112.517 177.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -134.91 163.64 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 CA-C-O 121.236 0.541 . . . . 0.0 111.3 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.2 t -152.5 89.72 1.44 Allowed 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.72 -102.61 1.54 Allowed Glycine 0 C--N 1.337 0.607 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -106.73 -17.5 14.21 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -71.79 146.08 48.28 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.2 t -137.3 111.11 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 -176.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -84.27 123.86 30.6 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -127.01 155.16 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.121 -172.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.27 154.86 20.51 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.5 mt -141.09 144.45 26.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -175.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -140.56 109.1 5.89 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.87 156.8 40.99 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 123.456 0.702 . . . . 0.0 109.569 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.54 158.58 44.91 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 122.973 2.449 . . . . 0.0 111.13 176.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -70.25 -0.84 8.73 Favored 'General case' 0 CA--C 1.527 0.094 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 173.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -67.17 -11.64 57.87 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.416 1.486 . . . . 0.0 110.905 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 m -138.63 168.39 19.59 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 C-N-CA 123.632 0.773 . . . . 0.0 109.851 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.99 155.66 20.63 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.81 0.338 . . . . 0.0 110.842 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -156.11 129.03 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.086 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -156.84 174.79 14.97 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 123.915 0.886 . . . . 0.0 108.75 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -81.61 168.09 18.54 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 173.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -59.84 -23.19 63.19 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -70.07 -39.88 75.36 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 122.044 -0.41 . . . . 0.0 111.728 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -86.43 -26.21 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -174.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 122.722 0.409 . . . . 0.0 111.068 -178.519 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.55 -0.262 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.7 mt -139.52 154.29 47.65 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 118.269 0.486 . . . . 0.0 109.916 175.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -136.92 145.88 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -146.47 168.3 21.52 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.083 0.953 . . . . 0.0 109.804 -176.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 9.8 m -134.71 101.18 4.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.418 0.627 . . . . 0.0 109.395 171.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -104.05 162.73 12.9 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 124.931 1.293 . . . . 0.0 108.468 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -127.15 168.35 14.78 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 119.359 0.981 . . . . 0.0 110.873 173.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.452 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.0 m -56.86 131.47 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.319 0.58 . . . . 0.0 112.1 -170.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.42 0.79 59.38 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.443 -0.798 . . . . 0.0 112.657 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -110.5 -179.6 3.81 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.972 0.886 . . . . 0.0 109.947 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 41.8 m -144.0 168.26 20.41 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -170.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -141.89 164.74 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 126.144 1.778 . . . . 0.0 107.108 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -140.05 154.3 47.04 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.898 0.772 . . . . 0.0 112.053 -176.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 46.5 mt -141.77 147.51 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -141.42 35.31 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -130.13 10.43 5.38 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.536 0.735 . . . . 0.0 110.285 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -138.94 10.2 2.6 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.648 0.779 . . . . 0.0 111.949 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.27 145.4 35.43 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-N 119.057 0.844 . . . . 0.0 110.709 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -140.75 156.02 46.29 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -135.31 145.79 31.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.5 m -140.05 145.68 38.02 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.444 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.0 OUTLIER -105.75 94.48 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.43 -28.8 69.49 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -173.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.452 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.03 -173.29 36.67 Favored Glycine 0 CA--C 1.524 0.651 0 CA-C-N 118.26 0.482 . . . . 0.0 112.775 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -137.47 163.67 30.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 117.018 0.409 . . . . 0.0 111.185 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.2 t -151.8 89.73 1.49 Allowed 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.993 0.917 . . . . 0.0 109.049 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.78 -102.53 1.42 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -177.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -106.09 -17.77 14.23 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 117.066 0.433 . . . . 0.0 109.903 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -69.26 147.05 51.76 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -139.23 111.98 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 -177.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 ttt-85 -85.77 127.34 34.51 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -131.37 155.04 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -170.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.77 154.58 19.77 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -140.55 142.21 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -139.72 106.12 5.3 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.2 157.93 42.04 Favored Pre-proline 0 N--CA 1.453 -0.295 0 C-N-CA 123.867 0.867 . . . . 0.0 109.395 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.81 158.95 48.11 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 123.252 2.634 . . . . 0.0 110.829 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' C' ' 38' ' ' LYS . 13.6 mmmm -70.08 -0.69 8.11 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 121.116 0.484 . . . . 0.0 110.41 172.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.98 -11.6 57.29 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.052 1.341 . . . . 0.0 110.888 173.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 m -137.34 168.55 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.752 0.821 . . . . 0.0 109.838 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.41 155.45 20.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 122.25 -0.281 . . . . 0.0 110.959 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -157.78 128.08 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 174.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -154.43 165.99 34.66 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.89 0.476 . . . . 0.0 109.953 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -63.22 151.49 40.25 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 172.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -64.28 -12.21 39.27 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.616 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.24 -43.87 66.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.421 0.688 . . . . 0.0 110.466 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 16.5 mm -83.1 -25.21 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 O-C-N 122.255 -0.278 . . . . 0.0 110.496 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.3 t80 . . . . . 0 N--CA 1.45 -0.451 0 O-C-N 122.174 -0.329 . . . . 0.0 110.885 178.924 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.536 -0.172 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.401 ' C ' HD12 ' A' ' 3' ' ' ILE . 6.8 mt -100.75 152.08 20.91 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.852 0.358 . . . . 0.0 110.473 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.401 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.6 mp -137.09 133.44 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 172.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -161.08 165.55 29.48 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -125.69 147.07 49.47 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 121.066 0.46 . . . . 0.0 111.241 -171.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.81 173.6 11.33 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 125.839 1.656 . . . . 0.0 107.985 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -129.52 171.34 12.68 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.298 0.499 . . . . 0.0 109.883 168.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.466 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.2 m -56.52 133.6 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.768 -174.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.35 1.56 62.41 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.806 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -106.21 179.47 4.26 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.119 0.96 . . . . 0.0 111.542 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.7 m -144.57 168.35 20.35 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -171.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' C' ' 44' ' ' ARG . 32.9 mm -144.88 164.09 13.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 127.119 2.168 . . . . 0.0 107.292 -176.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -135.63 153.41 51.65 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.269 0.94 . . . . 0.0 112.086 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt -140.94 143.13 28.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 177.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.85 -138.75 44.17 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -176.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -130.65 10.32 5.14 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -141.79 11.06 2.03 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.267 0.627 . . . . 0.0 112.055 -175.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.25 141.07 47.26 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.139 0 CA-C-N 118.925 0.784 . . . . 0.0 109.703 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.7 m -136.58 154.85 50.57 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -134.2 146.39 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.1 m -142.58 145.74 33.88 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.412 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.2 tp -102.96 100.53 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.87 -29.77 68.14 Favored 'General case' 0 CA--C 1.528 0.132 0 O-C-N 122.189 -0.32 . . . . 0.0 111.489 -174.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.466 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.26 -174.89 35.49 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-N 118.077 0.399 . . . . 0.0 112.584 176.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -138.71 163.71 27.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 O-C-N 122.411 -0.464 . . . . 0.0 111.044 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.7 t -154.26 115.22 4.03 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 172.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.08 -102.51 0.66 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -115.37 -13.94 11.64 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.954 0.377 . . . . 0.0 110.613 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -71.27 148.75 46.87 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.6 t -137.63 110.79 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -86.65 126.89 34.84 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -128.76 155.22 40.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -170.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.1 154.41 19.84 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 109.764 -1.335 . . . . 0.0 109.764 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.6 mt -140.59 143.06 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -139.52 105.82 5.27 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -176.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.4 157.25 42.22 Favored Pre-proline 0 N--CA 1.452 -0.353 0 C-N-CA 123.496 0.718 . . . . 0.0 109.644 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -64.71 158.72 48.93 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 123.211 2.607 . . . . 0.0 110.884 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 10.5 mmmm -70.76 -0.43 8.92 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 121.178 0.513 . . . . 0.0 110.055 172.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.68 -11.3 53.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.844 1.258 . . . . 0.0 110.698 173.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -138.56 168.63 19.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 123.895 0.878 . . . . 0.0 109.37 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.44 158.38 18.01 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -158.15 129.22 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -155.68 171.43 19.99 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 122.906 0.482 . . . . 0.0 110.015 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -70.05 158.48 35.62 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -61.46 -19.43 61.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.852 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -69.96 -47.86 60.63 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.101 0.56 . . . . 0.0 110.43 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -78.71 -25.65 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 120.697 0.284 . . . . 0.0 110.868 -173.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 . . . . . 0 N--CA 1.449 -0.477 0 C-N-CA 122.736 0.414 . . . . 0.0 111.497 -178.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.0 tpt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mt -138.7 150.8 46.57 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.827 0.451 . . . . 0.0 109.836 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -138.75 134.42 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.51 165.39 26.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -123.17 147.32 46.97 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.218 0.533 . . . . 0.0 111.512 -171.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.25 173.93 11.02 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 125.914 1.686 . . . . 0.0 108.022 -178.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -132.07 170.99 14.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.34 0.518 . . . . 0.0 110.369 168.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.467 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 7.4 m -56.34 128.38 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.771 -173.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.81 4.11 55.81 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.423 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -110.25 179.84 3.98 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.196 0.998 . . . . 0.0 111.113 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -145.63 168.0 21.73 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -172.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -142.29 165.42 17.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 127.064 2.146 . . . . 0.0 106.642 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -139.15 155.56 47.77 Favored 'General case' 0 CA--C 1.524 -0.052 0 O-C-N 121.385 -0.822 . . . . 0.0 112.154 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.0 mt -139.85 152.53 22.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.59 -139.24 35.76 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -130.39 10.43 5.26 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.707 0.803 . . . . 0.0 109.003 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -144.78 12.21 1.45 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.746 0.818 . . . . 0.0 111.871 -175.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -127.43 146.09 33.79 Favored 'Isoleucine or valine' 0 C--N 1.34 0.183 0 CA-C-N 119.018 0.826 . . . . 0.0 110.733 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -138.54 153.47 48.72 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.69 145.08 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -140.68 146.44 37.85 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.415 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.0 OUTLIER -105.04 94.82 3.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -66.66 -28.68 68.66 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.92 -173.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.42 -173.82 37.05 Favored Glycine 0 CA--C 1.525 0.66 0 CA-C-N 118.035 0.38 . . . . 0.0 113.015 176.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -135.86 163.56 34.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 C-N-CA 122.535 0.334 . . . . 0.0 111.023 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 46.9 t -151.01 89.96 1.57 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.79 -95.39 1.01 Allowed Glycine 0 C--N 1.337 0.59 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -114.35 -15.08 12.16 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 174.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -69.65 149.59 47.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 81.0 t -138.41 111.53 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -87.48 127.99 35.23 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.19 155.39 41.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -169.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.56 153.92 20.16 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.4 mt -140.84 143.35 28.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -175.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -140.24 106.56 5.27 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.18 157.63 42.46 Favored Pre-proline 0 N--CA 1.451 -0.393 0 C-N-CA 123.699 0.8 . . . . 0.0 109.349 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.65 158.04 52.36 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 122.984 2.456 . . . . 0.0 110.872 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -71.71 -3.65 23.05 Favored 'General case' 0 CA--C 1.526 0.038 0 O-C-N 122.115 -0.365 . . . . 0.0 110.506 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -69.57 -7.51 39.12 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.554 1.141 . . . . 0.0 110.989 174.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -136.4 168.67 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.153 0.981 . . . . 0.0 108.528 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.82 157.93 21.66 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.67 0.271 . . . . 0.0 110.959 -175.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -158.26 131.41 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -156.79 172.03 19.34 Favored 'General case' 0 C--N 1.339 0.118 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.458 ' HA ' HD13 ' A' ' 12' ' ' ILE . 73.0 mtm-85 -68.72 156.25 38.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -65.97 -8.42 22.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 110.44 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -79.24 -48.53 14.02 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.449 0.7 . . . . 0.0 109.73 174.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.42 -27.43 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.223 0.609 . . . . 0.0 109.804 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 77.0 t80 . . . . . 0 N--CA 1.451 -0.387 0 C-N-CA 122.271 0.228 . . . . 0.0 111.399 -178.757 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 tpt . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.406 HD12 HG13 ' C' ' 42' ' ' VAL . 5.4 mt -140.85 156.39 46.14 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 174.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -136.88 145.23 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -144.6 166.8 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.954 0.901 . . . . 0.0 109.769 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.19 97.86 3.96 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 172.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -104.56 162.2 13.46 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.272 1.429 . . . . 0.0 109.188 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -120.25 169.69 10.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.859 1.209 . . . . 0.0 111.419 172.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.452 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 8.8 m -58.9 134.61 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.433 -173.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.25 -3.86 60.15 Favored Glycine 0 CA--C 1.527 0.813 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.46 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -104.86 -178.98 3.81 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.152 0.976 . . . . 0.0 110.887 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.3 m -143.18 173.42 11.6 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -171.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.459 ' HA ' ' HA ' ' C' ' 44' ' ' ARG . 37.4 mt -153.38 165.01 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 126.911 2.085 . . . . 0.0 106.932 -172.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -141.3 155.25 45.99 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 119.276 0.944 . . . . 0.0 112.415 -175.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.4 mt -139.58 151.6 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.88 -140.02 35.42 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -129.96 10.17 5.43 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -142.47 12.28 1.93 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.784 0.833 . . . . 0.0 111.694 -176.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.77 146.15 34.56 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-N 118.769 0.713 . . . . 0.0 109.987 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -139.93 155.02 47.36 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.4 mm -135.66 148.61 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -141.28 146.84 37.29 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.406 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.2 tp -105.89 94.78 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.5 mt -66.44 -30.42 70.77 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -173.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.452 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 160.05 -172.86 36.63 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.559 -0.353 . . . . 0.0 113.043 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -132.19 163.12 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.863 0.363 . . . . 0.0 111.406 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.4 t -151.99 90.34 1.52 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.966 0.907 . . . . 0.0 108.997 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.41 -100.61 1.55 Allowed Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -113.25 -17.32 12.36 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -68.76 149.75 48.66 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.1 t -135.83 117.68 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -82.7 121.18 26.53 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.4 155.16 34.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -174.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.63 154.32 20.36 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.9 mt -140.99 142.99 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -140.32 107.24 5.41 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.12 156.94 40.27 Favored Pre-proline 0 N--CA 1.453 -0.313 0 C-N-CA 123.391 0.676 . . . . 0.0 110.093 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.49 158.78 51.08 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 123.577 2.852 . . . . 0.0 111.431 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 9.0 mmmm -72.87 -0.86 14.68 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.831 0.348 . . . . 0.0 110.622 175.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.83 -7.44 45.35 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.172 0.989 . . . . 0.0 110.826 172.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -138.5 168.46 19.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 123.786 0.834 . . . . 0.0 108.869 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.11 159.83 17.0 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -175.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.4 p -159.73 129.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 123.533 0.733 . . . . 0.0 109.75 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -153.72 172.79 16.74 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 122.979 0.512 . . . . 0.0 110.036 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -71.3 159.35 34.75 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -60.0 -23.62 63.81 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.328 0.513 . . . . 0.0 110.394 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.42 -50.01 36.14 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.012 0.525 . . . . 0.0 111.125 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.14 -27.29 29.1 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.178 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 78.2 t80 . . . . . 0 N--CA 1.451 -0.418 0 C-N-CA 122.799 0.44 . . . . 0.0 111.892 -178.315 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.474 0.771 0 CA-C-O 119.537 -0.268 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.407 ' C ' HD12 ' C' ' 3' ' ' ILE . 5.4 mt -140.35 156.27 46.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 172.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.407 HD12 ' C ' ' C' ' 2' ' ' LEU . 3.8 mp -134.88 136.64 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 176.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -131.83 163.14 28.91 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.586 1.154 . . . . 0.0 109.701 -172.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -134.29 122.11 22.22 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 169.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -136.23 152.18 50.48 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.193 1.397 . . . . 0.0 108.068 -174.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -116.15 171.64 7.68 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 119.975 1.261 . . . . 0.0 111.145 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.442 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 11.1 m -60.31 129.19 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.349 -171.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.43 1.54 55.58 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.543 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -111.18 -178.58 3.5 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.076 0.938 . . . . 0.0 110.708 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 42.4 m -141.89 169.04 18.34 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -173.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.7 mm -141.52 165.95 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.893 2.077 . . . . 0.0 106.901 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -139.01 154.98 48.31 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 119.064 0.847 . . . . 0.0 112.685 -175.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -141.58 148.03 21.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 C-N-CA 124.435 1.094 . . . . 0.0 108.64 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.54 -140.16 29.8 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -129.22 10.57 5.82 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 123.811 0.844 . . . . 0.0 109.632 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -142.73 11.86 1.86 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.358 0.663 . . . . 0.0 111.621 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.49 146.24 34.49 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 118.742 0.701 . . . . 0.0 110.543 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 56.3 m -140.72 155.91 46.33 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.058 0.943 . . . . 0.0 108.831 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -134.52 145.54 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 9.5 m -138.96 151.15 46.64 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.418 HG13 ' HA ' ' C' ' 8' ' ' VAL . 0.9 OUTLIER -115.12 90.3 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.29 -25.48 67.65 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -172.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.442 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 159.8 -172.97 36.45 Favored Glycine 0 C--N 1.34 0.764 0 CA-C-N 118.066 0.394 . . . . 0.0 112.88 176.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.5 m -139.1 164.37 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 C-N-CA 122.97 0.508 . . . . 0.0 110.844 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -152.4 89.47 1.43 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.445 0.698 . . . . 0.0 109.258 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.06 -94.15 1.1 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -113.34 -16.36 12.5 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 173.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -67.13 148.36 51.95 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 67.5 t -141.36 109.9 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -83.57 121.42 27.2 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt -126.05 154.69 35.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -171.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.23 153.51 19.89 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.0 mt -140.75 139.59 34.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.25 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -138.15 105.62 5.55 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -174.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.55 156.74 45.38 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.671 0.789 . . . . 0.0 109.699 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.76 158.87 40.06 Favored 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 122.849 2.366 . . . . 0.0 110.9 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -69.26 -0.73 6.57 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.96 0.41 . . . . 0.0 110.082 172.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.02 -11.81 58.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.92 1.288 . . . . 0.0 110.788 173.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -137.74 167.06 23.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 C-N-CA 124.095 0.958 . . . . 0.0 109.28 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.77 160.13 15.71 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 122.298 -0.251 . . . . 0.0 110.842 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.406 HG13 HD12 ' A' ' 2' ' ' LEU . 0.9 OUTLIER -158.08 131.63 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 174.819 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -155.58 173.59 16.48 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 29.8 ptt-85 -82.51 166.5 19.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 173.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -64.0 -9.61 16.89 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.956 0.503 . . . . 0.0 112.318 -176.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -78.64 -45.14 22.16 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.399 -0.813 . . . . 0.0 110.637 173.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -81.63 -29.02 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 O-C-N 122.332 -0.23 . . . . 0.0 110.939 -172.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 83.6 t80 . . . . . 0 N--CA 1.452 -0.369 0 O-C-N 122.251 -0.281 . . . . 0.0 110.903 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.427 ' C ' HD12 ' A' ' 3' ' ' ILE . 4.9 mt -136.05 152.76 51.23 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.427 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.4 mp -135.43 147.75 28.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 177.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -145.8 165.78 27.84 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.803 0.841 . . . . 0.0 109.123 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -137.55 86.1 2.16 Favored 'General case' 0 C--O 1.23 0.054 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 175.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -99.85 162.94 12.68 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.077 1.351 . . . . 0.0 109.058 -173.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -121.26 171.79 8.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 120.146 1.339 . . . . 0.0 112.096 175.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.489 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 9.1 m -59.5 134.51 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.894 -172.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.39 -1.11 62.06 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.034 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -105.4 -178.9 3.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 117.596 0.698 . . . . 0.0 110.227 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.9 m -144.28 168.3 20.39 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -173.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.0 mt -144.81 166.0 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 126.11 1.764 . . . . 0.0 106.982 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -141.16 157.46 45.24 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-N 119.069 0.85 . . . . 0.0 112.44 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.1 mt -141.89 150.88 18.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 124.451 1.1 . . . . 0.0 108.875 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.5 -141.97 30.28 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -128.66 10.85 6.14 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.603 0.761 . . . . 0.0 109.728 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -141.69 12.6 2.09 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.77 0.828 . . . . 0.0 111.87 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.55 146.77 33.45 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 CA-C-N 119.127 0.876 . . . . 0.0 110.858 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.6 m -140.4 155.48 46.72 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.208 1.003 . . . . 0.0 108.867 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.1 mm -135.43 148.18 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 m -141.71 154.5 45.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.42 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.1 tp -119.68 90.25 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.8 mt -66.05 -27.62 68.23 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.977 -0.452 . . . . 0.0 111.858 -172.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.489 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 160.65 -174.63 37.35 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 121.116 -0.564 . . . . 0.0 113.446 178.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.13 163.11 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.974 0.416 . . . . 0.0 111.345 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.7 t -154.46 111.35 3.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.738 0.815 . . . . 0.0 108.824 173.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.1 -100.46 0.71 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -117.7 -16.83 10.01 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.021 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -71.43 148.32 47.01 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.8 t -134.15 116.61 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -85.13 121.94 28.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -126.45 155.35 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 O-C-N 123.977 0.798 . . . . 0.0 109.274 -172.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.86 153.05 18.24 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt -140.64 139.72 34.58 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -177.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -140.38 106.47 5.22 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.51 157.43 44.88 Favored Pre-proline 0 N--CA 1.451 -0.407 0 C-N-CA 123.485 0.714 . . . . 0.0 109.539 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.65 159.13 46.58 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 123.194 2.596 . . . . 0.0 110.827 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -69.85 -0.56 7.45 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.201 0.524 . . . . 0.0 110.129 173.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.69 -10.4 56.05 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.086 1.354 . . . . 0.0 111.055 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -139.16 168.65 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.55 0.74 . . . . 0.0 109.704 -178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.22 155.86 19.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.996 0.427 . . . . 0.0 111.326 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.98 127.14 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -153.62 171.73 18.34 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.8 mtm105 -71.96 161.22 31.25 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 173.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -62.27 -21.4 65.18 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -73.47 -34.08 65.17 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.995 0.918 . . . . 0.0 111.838 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.18 -28.03 5.05 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -178.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.5 t80 . . . . . 0 N--CA 1.453 -0.298 0 C-N-CA 122.637 0.375 . . . . 0.0 111.966 -177.615 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.6 tpt . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 119.044 -0.503 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.489 ' C ' HD13 ' C' ' 3' ' ' ILE . 4.2 mt -140.99 137.34 32.94 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.516 0.598 . . . . 0.0 110.611 176.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.531 ' N ' HD13 ' C' ' 3' ' ' ILE . 0.7 OUTLIER -109.62 137.01 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 178.291 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -135.48 158.86 43.31 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.188 0.595 . . . . 0.0 110.788 -172.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m -134.31 134.05 41.41 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 168.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.422 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 3.8 tpm_? -142.6 161.84 37.02 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -125.08 166.66 15.99 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 119.194 0.906 . . . . 0.0 110.766 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.459 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.9 m -56.41 127.55 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.788 -170.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.23 -5.2 45.12 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 115.491 -0.777 . . . . 0.0 113.071 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -108.96 -178.9 3.7 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.182 0.991 . . . . 0.0 110.818 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 59.0 m -141.96 168.9 18.64 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -172.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 34.4 mm -139.14 164.96 24.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 126.987 2.115 . . . . 0.0 106.512 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -137.94 155.06 49.29 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.156 -0.965 . . . . 0.0 112.644 -176.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mt -140.91 148.01 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.093 0.957 . . . . 0.0 108.564 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.3 -140.82 35.5 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -129.08 10.33 5.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.698 0.799 . . . . 0.0 109.512 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -143.57 12.06 1.7 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.424 0.69 . . . . 0.0 111.594 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.84 145.36 35.82 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 118.902 0.774 . . . . 0.0 110.268 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 57.5 m -141.22 154.66 45.92 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.659 0.783 . . . . 0.0 108.949 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -134.68 143.74 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 40.0 m -139.14 146.3 40.46 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.417 HG13 ' HA ' ' C' ' 8' ' ' VAL . 0.9 OUTLIER -105.71 93.68 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.485 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -65.44 -27.51 68.57 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -173.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.459 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.08 -173.33 36.71 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-N 118.227 0.467 . . . . 0.0 112.677 177.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 m -137.74 163.01 31.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 CA-C-N 117.053 0.426 . . . . 0.0 111.095 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 64.9 m -150.53 89.76 1.59 Allowed 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 124.06 0.944 . . . . 0.0 108.773 176.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.03 -94.02 0.88 Allowed Glycine 0 C--N 1.339 0.698 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -113.88 -16.74 12.17 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 117.071 0.436 . . . . 0.0 109.841 173.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -68.96 150.4 47.75 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 73.4 t -140.49 112.7 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 105.976 -1.861 . . . . 0.0 105.976 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -83.58 127.61 33.87 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -133.74 154.74 39.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -171.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.16 154.05 20.12 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.0 mt -140.69 141.53 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -176.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -139.92 105.28 5.06 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.79 156.79 44.55 Favored Pre-proline 0 N--CA 1.452 -0.362 0 C-N-CA 123.385 0.674 . . . . 0.0 109.977 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.12 158.55 47.47 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 123.26 2.64 . . . . 0.0 110.94 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -72.39 -0.84 13.5 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.176 0.512 . . . . 0.0 110.582 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.76 -6.6 45.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.572 1.149 . . . . 0.0 110.984 174.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 20.7 m -137.46 168.6 20.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 123.284 0.634 . . . . 0.0 109.74 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.6 158.07 17.54 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.709 0.29 . . . . 0.0 111.567 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.401 HG13 HD12 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -157.93 127.75 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 173.579 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -154.36 174.52 14.73 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 123.54 0.736 . . . . 0.0 109.429 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -84.82 166.68 16.7 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 175.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -58.11 -22.71 52.04 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -172.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -73.5 -46.29 48.8 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 121.954 -0.467 . . . . 0.0 111.519 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.23 -25.53 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -176.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 78.6 t80 . . . . . 0 N--CA 1.45 -0.456 0 O-C-N 122.284 -0.26 . . . . 0.0 111.508 -178.176 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 tpt . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -139.53 152.12 46.67 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -137.3 138.44 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.07 165.66 24.47 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.614 0.766 . . . . 0.0 110.105 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.446 HG22 ' HG2' ' C' ' 29' ' ' GLN . 2.5 m -116.77 149.07 40.54 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -175.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.66 154.38 44.29 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 123.957 0.903 . . . . 0.0 109.854 -174.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -110.17 159.22 17.55 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.349 0.595 . . . . 0.0 110.486 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.423 ' HA ' HG13 ' A' ' 22' ' ' ILE . 18.4 m -59.32 136.3 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.721 -176.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.62 0.37 66.98 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.399 -0.667 . . . . 0.0 112.608 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -107.62 -178.51 3.65 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.197 0.998 . . . . 0.0 110.2 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.9 m -141.0 168.1 20.6 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -172.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.5 mt -142.34 162.51 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 126.11 1.764 . . . . 0.0 106.33 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -138.22 153.87 49.11 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 121.737 -0.602 . . . . 0.0 111.746 -173.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.0 mt -141.57 146.84 22.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.78 -141.08 29.09 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -129.48 10.92 5.74 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.382 0.673 . . . . 0.0 110.189 176.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -139.36 11.25 2.55 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.61 0.764 . . . . 0.0 111.925 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.27 144.57 37.75 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 CA-C-N 119.105 0.866 . . . . 0.0 110.939 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.5 m -141.33 156.8 45.8 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mm -134.05 144.7 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.541 1.137 . . . . 0.0 107.983 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -142.11 120.82 12.62 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.423 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.9 tp -80.23 103.65 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.75 -29.91 65.02 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.836 -0.166 . . . . 0.0 111.329 -175.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.415 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.28 -171.92 35.24 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 117.775 0.261 . . . . 0.0 112.48 177.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 m -132.95 163.58 37.54 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 CA-C-O 121.036 0.446 . . . . 0.0 111.367 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 t -151.02 89.41 1.53 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.008 0.923 . . . . 0.0 108.605 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.5 -102.85 1.33 Allowed Glycine 0 C--N 1.339 0.725 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 -177.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -105.69 -20.15 13.55 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 117.38 0.59 . . . . 0.0 109.561 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -66.98 147.58 53.04 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.9 t -136.66 115.04 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.1 ttt-85 -89.49 126.95 35.78 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -137.74 155.1 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -170.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.76 157.18 18.15 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 176.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.4 mt -140.23 143.18 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -176.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -140.15 107.15 5.43 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.42 156.97 42.46 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 123.817 0.847 . . . . 0.0 109.332 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.78 158.23 51.86 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.271 2.648 . . . . 0.0 111.117 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -71.38 -4.08 24.3 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.244 0.217 . . . . 0.0 110.471 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -69.66 -6.75 33.56 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.33 1.052 . . . . 0.0 111.17 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m -136.88 168.74 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.92 157.09 21.08 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.676 0.275 . . . . 0.0 111.069 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -155.56 129.43 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 176.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -155.71 173.07 17.27 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 123.389 0.676 . . . . 0.0 109.893 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -74.83 159.87 31.38 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 173.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -57.75 -25.21 60.12 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 122.237 -0.289 . . . . 0.0 111.206 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -68.49 -39.07 81.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.368 0.667 . . . . 0.0 111.584 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -86.21 -27.26 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.1 t80 . . . . . 0 N--CA 1.453 -0.28 0 C-N-CA 122.725 0.41 . . . . 0.0 111.716 -178.914 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpt . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.4 ' C ' HD12 ' C' ' 3' ' ' ILE . 4.8 mt -136.25 155.24 50.4 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.4 HD12 ' C ' ' C' ' 2' ' ' LEU . 4.5 mp -135.83 146.97 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.1 mt -146.71 165.66 28.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.123 0.969 . . . . 0.0 110.068 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -139.13 100.07 3.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 173.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.44 ' HD3' HD11 ' C' ' 12' ' ' ILE . 0.0 OUTLIER -127.51 164.24 22.37 Favored 'General case' 0 C--O 1.227 -0.107 0 C-N-CA 122.43 0.292 . . . . 0.0 110.444 176.377 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -115.35 175.54 5.47 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 123.007 0.523 . . . . 0.0 111.492 -169.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.74 142.74 11.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.55 -9.06 75.09 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.504 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . 0.468 ' HG3' ' H ' ' C' ' 11' ' ' SER . 8.3 tp10 -85.7 179.72 7.02 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 117.705 0.752 . . . . 0.0 110.249 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.468 ' H ' ' HG3' ' C' ' 10' ' ' GLU . 67.9 m -148.05 164.29 34.29 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.272 0.629 . . . . 0.0 110.983 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.44 HD11 ' HD3' ' C' ' 6' ' ' ARG . 51.8 mt -143.29 164.13 15.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -138.38 155.6 48.37 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 121.36 -0.837 . . . . 0.0 112.651 -175.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 49.2 mt -141.55 148.26 21.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 C-N-CA 124.212 1.005 . . . . 0.0 108.668 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.36 -141.04 38.81 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -129.75 10.44 5.56 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.652 0.781 . . . . 0.0 109.482 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -143.12 11.28 1.76 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.453 0.701 . . . . 0.0 111.645 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.07 144.69 37.4 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 CA-C-N 118.984 0.811 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 49.1 m -140.24 154.58 46.91 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -130.43 144.38 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 41.0 m -142.37 146.87 35.4 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -105.87 103.32 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.07 -24.68 62.37 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.049 -0.661 . . . . 0.0 109.96 -177.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.48 -169.57 32.24 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 112.239 -0.344 . . . . 0.0 112.239 173.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 15.5 m -131.84 164.9 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 CA-C-O 121.16 0.505 . . . . 0.0 111.246 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.2 m -150.24 85.26 1.39 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -129.72 21.09 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -175.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -77.99 -13.29 59.93 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.05 0.425 . . . . 0.0 110.335 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.446 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.2 OUTLIER -81.5 148.99 28.93 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 85.8 t -139.58 118.88 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 -175.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -95.33 126.57 40.73 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.3 155.35 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.249 -169.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.47 155.14 20.7 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -140.19 143.36 29.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -175.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -139.15 105.28 5.22 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -174.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.75 157.61 43.86 Favored Pre-proline 0 N--CA 1.45 -0.435 0 C-N-CA 123.908 0.883 . . . . 0.0 109.594 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -62.98 158.09 45.24 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 123.194 2.596 . . . . 0.0 110.752 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -68.39 -0.68 5.18 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-O 121.223 0.535 . . . . 0.0 110.222 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.21 -11.78 59.86 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.219 1.408 . . . . 0.0 111.144 173.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 m -139.04 168.36 19.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 123.477 0.711 . . . . 0.0 110.032 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.33 158.64 16.72 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.921 -177.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -158.25 126.9 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -158.73 170.11 22.88 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 120.847 0.356 . . . . 0.0 111.429 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.436 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 24.8 ttp-105 -68.68 153.11 44.38 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 169.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -13.68 32.32 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.588 0.631 . . . . 0.0 111.9 -177.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 45.8 tt0 -70.94 -36.92 72.82 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.911 0.484 . . . . 0.0 110.566 177.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 mm -91.31 -25.23 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 78.3 t80 . . . . . 0 N--CA 1.452 -0.352 0 C-N-CA 123.05 0.54 . . . . 0.0 111.549 -179.702 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 tpt . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mt -136.84 156.12 48.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -134.42 145.26 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -143.54 165.84 26.46 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.998 0.919 . . . . 0.0 109.441 -177.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.33 96.41 3.72 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 173.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -98.64 163.09 12.79 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.429 1.491 . . . . 0.0 108.508 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -130.24 169.43 15.4 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 119.61 1.096 . . . . 0.0 110.619 171.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.452 ' HA ' HG13 ' A' ' 22' ' ' ILE . 7.7 m -58.45 133.06 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -169.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.68 -0.51 61.17 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.678 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -106.22 -179.12 3.85 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.244 1.022 . . . . 0.0 110.96 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.1 m -144.23 168.41 20.13 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -173.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.4 mt -141.21 165.71 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 125.853 1.661 . . . . 0.0 106.632 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -138.39 153.65 48.91 Favored 'General case' 0 C--O 1.228 -0.062 0 CA-C-N 118.695 0.68 . . . . 0.0 111.712 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.7 mt -140.5 147.32 23.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.16 -141.23 34.17 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -130.02 10.96 5.5 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.147 0.579 . . . . 0.0 110.206 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -139.66 12.18 2.5 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.785 0.834 . . . . 0.0 111.826 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.77 146.92 33.37 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-N 119.059 0.845 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.2 m -141.11 155.74 46.08 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.737 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.1 mm -135.34 146.33 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.5 m -142.65 146.59 34.62 Favored 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.452 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.2 tp -105.52 96.33 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.81 -27.04 66.39 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.595 -172.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.428 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 156.04 -170.82 33.82 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 112.008 -0.437 . . . . 0.0 112.008 176.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -133.33 161.21 41.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 CA-C-N 117.446 0.623 . . . . 0.0 112.069 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.2 m -150.04 89.47 1.6 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.165 1.386 . . . . 0.0 107.834 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.72 -137.3 28.58 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 -175.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -72.3 -18.29 61.8 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.856 0.828 . . . . 0.0 109.96 175.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.47 149.55 45.74 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -140.58 116.22 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -86.26 123.38 31.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -130.18 155.13 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -172.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.17 159.33 23.04 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.9 mt -139.97 142.36 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.404 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -139.97 105.83 5.17 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -176.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.03 157.26 43.44 Favored Pre-proline 0 N--CA 1.452 -0.375 0 C-N-CA 123.795 0.838 . . . . 0.0 109.46 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.64 158.78 48.36 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.181 2.587 . . . . 0.0 110.793 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -69.47 -0.8 7.07 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 121.474 0.654 . . . . 0.0 110.196 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -66.67 -10.75 49.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.945 1.298 . . . . 0.0 111.015 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -137.8 168.56 20.37 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 C-N-CA 123.48 0.712 . . . . 0.0 109.766 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.93 153.92 22.88 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.287 0.235 . . . . 0.0 111.012 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -156.11 124.58 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -152.51 168.89 24.06 Favored 'General case' 0 N--CA 1.458 -0.032 0 C-N-CA 122.789 0.436 . . . . 0.0 110.248 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 ttp85 -72.18 155.18 40.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -57.69 -23.75 53.24 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.521 0.201 . . . . 0.0 110.68 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -68.23 -50.53 53.39 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.179 0.592 . . . . 0.0 110.877 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.0 mm -74.75 -26.96 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 122.754 0.421 . . . . 0.0 110.838 -174.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.7 t80 . . . . . 0 N--CA 1.451 -0.396 0 C-N-CA 123.278 0.631 . . . . 0.0 111.773 -177.594 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.412 ' C ' HD12 ' C' ' 3' ' ' ILE . 4.2 mt -139.97 152.24 46.15 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 176.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.424 ' C ' HD22 ' C' ' 4' ' ' LEU . 4.5 mp -136.87 139.69 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.424 HD22 ' C ' ' C' ' 3' ' ' ILE . 4.3 mm? -131.59 162.41 30.4 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.744 1.218 . . . . 0.0 108.394 -178.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -136.82 87.57 2.3 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 172.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.647 HH21 HG22 ' C' ' 22' ' ' ILE . 8.8 ttp180 -104.69 177.25 4.9 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 125.352 1.461 . . . . 0.0 109.946 -173.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -134.76 170.86 15.2 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 118.668 0.667 . . . . 0.0 111.959 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.478 ' HA ' HG13 ' C' ' 22' ' ' ILE . 6.2 m -56.07 134.08 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.921 -173.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.12 -11.93 63.81 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 115.556 -0.747 . . . . 0.0 113.021 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -88.89 179.29 6.22 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.291 1.045 . . . . 0.0 111.504 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -145.95 165.35 29.22 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.417 HG22 ' N ' ' C' ' 13' ' ' ASN . 36.8 mm -141.99 167.56 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.928 1.691 . . . . 0.0 107.76 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . 0.417 ' N ' HG22 ' C' ' 12' ' ' ILE . 20.7 m120 -135.86 153.5 51.46 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-O 121.136 0.493 . . . . 0.0 111.922 -177.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.6 mt -138.96 147.48 24.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.93 -139.35 33.04 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -130.52 11.78 5.35 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.337 0.655 . . . . 0.0 110.292 176.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -140.18 11.15 2.37 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.869 0.867 . . . . 0.0 112.007 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.22 145.28 35.57 Favored 'Isoleucine or valine' 0 C--N 1.342 0.25 0 CA-C-N 118.942 0.792 . . . . 0.0 110.586 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 51.3 m -140.53 153.35 46.13 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.817 0.847 . . . . 0.0 108.828 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -133.66 144.89 34.55 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 38.6 m -140.19 147.01 39.47 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.647 HG22 HH21 ' C' ' 6' ' ' ARG . 2.4 tp -105.27 97.54 5.73 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.58 -27.32 65.95 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -173.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.439 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 157.07 -173.2 34.67 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 118.02 0.373 . . . . 0.0 112.481 175.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.5 m -135.11 163.36 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 117.157 0.478 . . . . 0.0 111.476 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 29.1 t -151.85 89.81 1.49 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.873 0.869 . . . . 0.0 109.269 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.15 -92.7 0.95 Allowed Glycine 0 C--N 1.338 0.645 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -113.43 -19.02 11.86 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 122.858 0.463 . . . . 0.0 109.99 173.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -68.97 147.28 51.86 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -138.01 106.53 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -82.48 125.63 31.31 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mt -128.89 155.34 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -171.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.42 154.27 19.92 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 57.1 mt -140.57 144.08 27.94 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -140.49 107.11 5.33 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -175.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.82 157.02 41.15 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 123.738 0.815 . . . . 0.0 109.969 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.12 158.08 53.89 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.152 2.568 . . . . 0.0 111.231 175.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' C' ' 38' ' ' LYS . 3.2 mmmp? -71.91 -1.73 15.41 Favored 'General case' 0 CA--C 1.524 -0.043 0 N-CA-C 110.48 -0.192 . . . . 0.0 110.48 175.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.12 -6.52 34.6 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.06 0.944 . . . . 0.0 111.028 173.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.59 168.65 19.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 123.882 0.873 . . . . 0.0 109.198 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.53 155.91 22.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.154 -0.341 . . . . 0.0 111.078 -175.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -156.01 127.42 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 174.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -156.7 171.49 20.27 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 124.123 0.969 . . . . 0.0 108.952 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -82.52 166.03 19.64 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -57.33 -24.22 53.74 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -172.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -69.3 -47.18 65.25 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.869 0.366 . . . . 0.0 111.127 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm -77.62 -25.9 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.383 -172.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 80.0 t80 . . . . . 0 N--CA 1.452 -0.368 0 C-N-CA 122.528 0.331 . . . . 0.0 111.553 -179.228 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mt -138.39 151.18 47.25 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.79 146.77 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -146.84 166.24 27.28 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 123.877 0.871 . . . . 0.0 109.838 -175.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -130.84 96.26 4.03 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 172.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -104.31 162.02 13.56 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.33 1.052 . . . . 0.0 108.444 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -124.36 168.77 12.56 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 119.594 1.088 . . . . 0.0 111.058 175.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.435 ' HA ' HG13 ' A' ' 22' ' ' ILE . 10.2 m -57.05 135.23 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.533 -170.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.03 -3.01 66.63 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.616 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -102.53 -179.47 3.98 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 117.919 0.859 . . . . 0.0 110.426 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.7 m -142.69 168.24 20.18 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-O 121.553 0.692 . . . . 0.0 112.785 -173.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -144.01 165.57 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.899 1.68 . . . . 0.0 106.68 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -141.5 156.97 45.7 Favored 'General case' 0 N--CA 1.461 0.081 0 CA-C-N 118.979 0.809 . . . . 0.0 112.11 -175.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.1 mt -141.4 149.72 20.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 123.95 0.9 . . . . 0.0 108.911 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.62 -140.41 33.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -129.56 10.64 5.67 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.549 0.74 . . . . 0.0 110.305 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -141.36 11.5 2.13 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 123.897 0.879 . . . . 0.0 112.035 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -127.77 146.13 33.93 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 CA-C-N 119.419 1.008 . . . . 0.0 110.924 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.7 m -140.51 155.89 46.5 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.897 0.879 . . . . 0.0 108.87 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -136.35 147.72 27.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 C-N-CA 124.514 1.125 . . . . 0.0 108.113 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -142.64 146.33 34.38 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.435 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.2 tp -105.41 90.77 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mt -62.96 -29.48 70.84 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -172.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.55 -170.03 35.72 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-N 118.407 0.549 . . . . 0.0 112.238 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -135.33 160.91 40.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 117.112 0.456 . . . . 0.0 111.436 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -150.25 89.37 1.58 Allowed 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.23 -135.01 29.31 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -74.15 -19.14 60.66 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 117.893 0.846 . . . . 0.0 109.999 176.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.4 150.19 46.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.5 t -139.46 119.28 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -85.86 129.15 34.91 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -133.3 155.15 40.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -171.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.91 154.69 21.26 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.5 mt -140.31 142.87 30.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -140.46 107.02 5.31 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.5 157.63 44.61 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.78 0.832 . . . . 0.0 109.241 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.54 159.4 44.77 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.948 2.432 . . . . 0.0 111.108 175.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 11.2 mmmm -70.68 -0.37 8.63 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-O 121.094 0.473 . . . . 0.0 110.014 172.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.45 -11.57 58.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.837 1.255 . . . . 0.0 110.758 173.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -138.98 168.62 18.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.203 1.001 . . . . 0.0 109.609 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.13 157.08 20.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 122.278 -0.264 . . . . 0.0 111.211 -176.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -155.88 127.6 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -155.03 173.51 16.47 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 122.906 0.482 . . . . 0.0 110.445 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -70.04 156.4 39.21 Favored 'General case' 0 N--CA 1.458 -0.061 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 174.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -58.23 -23.31 55.4 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.627 0.251 . . . . 0.0 110.786 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -68.6 -48.63 63.65 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.087 0.555 . . . . 0.0 110.663 178.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.4 mm -76.59 -25.64 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 CA-C-O 120.844 0.354 . . . . 0.0 110.371 -174.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.3 t80 . . . . . 0 N--CA 1.453 -0.279 0 C-N-CA 123.452 0.701 . . . . 0.0 111.535 -178.124 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.4 tpt . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 119.434 -0.317 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mt -136.92 153.33 50.75 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -138.29 146.15 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.3 mt -145.53 167.1 23.83 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.836 0.854 . . . . 0.0 109.639 -176.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -137.07 90.31 2.52 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.401 ' CD ' HD11 ' C' ' 12' ' ' ILE . 1.2 mmp_? -104.68 166.37 10.43 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 124.986 1.314 . . . . 0.0 109.591 -175.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -124.71 171.0 10.44 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 118.866 0.757 . . . . 0.0 111.589 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.463 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.4 m -56.51 132.43 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.372 -170.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.14 -15.11 55.11 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.206 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -86.01 177.72 7.49 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.153 0.977 . . . . 0.0 111.618 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -145.99 163.74 34.26 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.149 0.58 . . . . 0.0 111.347 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.401 HD11 ' CD ' ' C' ' 6' ' ' ARG . 40.6 mm -141.54 165.85 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 125.986 1.714 . . . . 0.0 107.069 -178.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -137.92 154.63 49.41 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 118.982 0.81 . . . . 0.0 112.353 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 48.4 mt -141.09 148.28 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.049 0.94 . . . . 0.0 108.624 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.0 -140.68 38.39 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -129.99 10.59 5.47 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 123.758 0.823 . . . . 0.0 109.658 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -142.31 11.4 1.93 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.343 0.657 . . . . 0.0 111.762 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -128.72 147.25 33.19 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 CA-C-N 118.83 0.741 . . . . 0.0 110.585 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 35.6 m -141.03 157.26 45.56 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -135.05 148.05 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 27.4 m -143.81 145.2 32.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.43 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.3 tp -106.06 95.68 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.9 -28.53 66.76 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.199 -0.313 . . . . 0.0 111.519 -172.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.75 -173.6 37.28 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 117.918 0.326 . . . . 0.0 112.793 178.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -133.66 161.46 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-O 121.17 0.51 . . . . 0.0 111.58 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -150.2 89.26 1.57 Allowed 'General case' 0 C--O 1.231 0.082 0 C-N-CA 124.692 1.197 . . . . 0.0 108.491 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.33 -102.97 1.24 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -106.68 -19.14 13.75 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 117.198 0.499 . . . . 0.0 109.702 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -69.54 146.99 51.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -136.17 117.73 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -79.3 117.94 20.77 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 176.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -124.9 153.26 31.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -176.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.44 156.44 21.84 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.8 mt -140.79 139.09 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -135.2 98.63 4.03 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.32 0.581 . . . . 0.0 109.805 -173.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.37 153.98 59.89 Favored Pre-proline 0 N--CA 1.448 -0.566 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.761 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.51 152.18 78.9 Favored 'Trans proline' 0 N--CA 1.443 -1.466 0 C-N-CA 122.213 1.942 . . . . 0.0 110.049 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -7.01 9.42 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 121.217 0.532 . . . . 0.0 110.995 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.69 -9.34 19.17 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.702 1.601 . . . . 0.0 112.04 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -133.81 167.56 26.02 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.19 153.6 20.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.558 -174.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -158.84 129.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 123.173 0.589 . . . . 0.0 109.5 174.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -155.37 173.14 17.08 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.39 0.676 . . . . 0.0 109.548 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -76.62 166.73 22.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -59.57 -25.12 64.31 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -174.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -66.67 -52.84 40.32 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 120.878 0.371 . . . . 0.0 110.669 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.3 mm -73.02 -30.18 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.556 -173.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.9 t80 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.179 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.507 -0.282 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 mt -140.53 151.44 44.76 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.674 0.389 . . . . 0.0 110.103 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.64 145.41 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -146.69 165.79 28.53 Favored 'General case' 0 C--O 1.23 0.075 0 C-N-CA 123.81 0.844 . . . . 0.0 110.449 -173.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.94 96.62 3.96 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-O 121.656 0.741 . . . . 0.0 109.579 173.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -99.22 163.04 12.72 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.168 1.787 . . . . 0.0 108.747 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -127.54 168.81 14.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.895 1.225 . . . . 0.0 110.568 171.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.448 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 8.3 m -57.61 133.66 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 121.491 0.662 . . . . 0.0 111.999 -170.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.88 -1.06 63.04 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.581 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -105.98 179.4 4.28 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 117.944 0.872 . . . . 0.0 110.341 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.1 m -142.75 168.53 19.49 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -172.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.7 mt -142.79 165.69 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.035 1.734 . . . . 0.0 106.788 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -139.85 155.24 47.33 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 119.393 0.997 . . . . 0.0 112.082 -175.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.4 mt -140.31 148.11 22.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 123.969 0.907 . . . . 0.0 108.943 177.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.71 -138.97 32.8 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -129.71 10.26 5.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.11 0.564 . . . . 0.0 109.884 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -140.83 10.99 2.23 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 123.367 0.667 . . . . 0.0 111.67 -177.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -129.32 145.56 35.56 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 CA-C-N 118.993 0.815 . . . . 0.0 110.418 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.4 m -140.76 156.45 46.18 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.6 mm -134.76 148.8 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.4 m -144.01 147.24 33.61 Favored 'General case' 0 N--CA 1.457 -0.086 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.444 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.1 tp -107.19 92.26 2.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.3 -26.46 68.07 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -173.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.448 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.69 -173.16 36.38 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 118.15 0.432 . . . . 0.0 112.856 175.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -137.38 162.1 33.58 Favored 'Isoleucine or valine' 0 C--N 1.34 0.164 0 C-N-CA 122.696 0.398 . . . . 0.0 110.966 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -150.47 89.57 1.58 Allowed 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.887 0.875 . . . . 0.0 108.658 176.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.49 -102.47 1.5 Allowed Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 -177.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -105.42 -15.94 14.88 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 117.339 0.57 . . . . 0.0 109.68 174.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -69.28 147.31 51.37 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -141.21 109.54 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -85.16 124.39 31.77 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -128.61 155.42 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -171.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.24 155.5 20.39 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 109.791 -1.323 . . . . 0.0 109.791 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.1 mt -140.39 131.43 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -130.45 99.38 4.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.284 0.564 . . . . 0.0 110.052 -173.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.34 154.78 64.37 Favored Pre-proline 0 N--CA 1.448 -0.572 0 C-N-CA 124.143 0.977 . . . . 0.0 108.562 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.428 ' C ' ' H ' ' A' ' 39' ' ' ASP . 21.8 Cg_endo -60.08 154.96 47.72 Favored 'Trans proline' 0 N--CA 1.443 -1.457 0 C-N-CA 122.13 1.887 . . . . 0.0 109.985 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.85 -3.11 2.19 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.039 0.447 . . . . 0.0 109.903 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 37' ' ' PRO . 19.1 t70 -70.09 -13.58 62.27 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.984 2.114 . . . . 0.0 112.48 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.57 167.51 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.113 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.9 150.84 22.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.676 0.274 . . . . 0.0 110.963 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.47 128.6 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 174.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -153.98 173.15 16.37 Favored 'General case' 0 CA--C 1.527 0.081 0 C-N-CA 122.927 0.491 . . . . 0.0 109.906 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.2 mtm105 -75.14 162.8 28.19 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.68 -23.5 64.89 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.317 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -71.84 -34.5 69.33 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.723 0.409 . . . . 0.0 111.463 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -91.31 -30.22 4.79 Favored 'Isoleucine or valine' 0 C--N 1.337 0.057 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -176.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.4 t80 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -177.213 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mt -140.35 156.06 46.56 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -137.27 147.59 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -145.26 165.61 27.91 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.919 0.888 . . . . 0.0 110.087 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.38 96.63 3.3 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.36 178.64 4.5 Favored 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 123.894 0.878 . . . . 0.0 109.325 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -128.67 172.42 11.25 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.877 0.308 . . . . 0.0 110.975 172.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.6 131.16 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 121.232 0.539 . . . . 0.0 112.114 -172.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.24 -7.88 58.67 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.329 175.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -92.05 -179.98 5.42 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 117.926 0.863 . . . . 0.0 110.705 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -142.39 166.14 25.49 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -173.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 50.3 mt -144.42 166.95 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 125.736 1.614 . . . . 0.0 107.004 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -141.61 156.07 45.69 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.118 0.872 . . . . 0.0 112.641 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 43.7 mt -143.36 149.15 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 124.248 1.019 . . . . 0.0 108.861 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.58 -141.26 35.71 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -129.13 10.16 5.8 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.622 0.769 . . . . 0.0 109.912 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -142.45 10.38 1.86 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.316 0.646 . . . . 0.0 111.485 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.29 145.93 34.6 Favored 'Isoleucine or valine' 0 C--N 1.341 0.225 0 CA-C-N 118.639 0.654 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -140.13 157.04 46.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.9 mm -135.18 148.69 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 10.9 m -142.61 153.78 43.79 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.73 94.9 3.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.47 -29.84 69.39 Favored 'General case' 0 C--N 1.341 0.227 0 O-C-N 121.716 -0.615 . . . . 0.0 112.601 -169.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.66 -172.1 38.64 Favored Glycine 0 C--N 1.34 0.77 0 CA-C-N 118.652 0.66 . . . . 0.0 112.489 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 m -133.77 162.05 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.223 0.535 . . . . 0.0 111.67 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 51.8 p -150.78 89.9 1.58 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.41 -126.66 11.5 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -175.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -84.06 -17.22 41.04 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 117.641 0.721 . . . . 0.0 109.528 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.9 147.26 48.96 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 74.5 t -137.79 115.92 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -85.76 125.42 33.22 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.2 mt -127.72 154.86 38.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -171.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.77 154.25 19.63 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 109.784 -1.326 . . . . 0.0 109.784 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 77.8 mt -140.36 138.28 36.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -135.24 98.79 4.07 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.097 0.475 . . . . 0.0 109.953 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.93 153.49 57.31 Favored Pre-proline 0 N--CA 1.448 -0.536 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.346 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.12 153.03 72.19 Favored 'Trans proline' 0 N--CA 1.445 -1.346 0 C-N-CA 122.657 2.238 . . . . 0.0 110.239 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -64.44 -8.26 12.88 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 121.21 0.528 . . . . 0.0 110.531 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.65 -9.33 18.9 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.573 1.549 . . . . 0.0 112.265 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -134.08 167.7 25.59 Favored 'Isoleucine or valine' 0 C--N 1.34 0.157 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.43 154.15 18.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -176.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -160.48 128.62 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.103 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 172.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -154.81 172.23 18.33 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 122.925 0.49 . . . . 0.0 109.801 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -73.11 161.8 30.19 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -60.83 -23.24 64.95 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.653 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -68.88 -47.91 64.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.549 0.34 . . . . 0.0 110.849 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 17.0 mm -77.03 -24.78 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-O 120.723 0.296 . . . . 0.0 110.48 -174.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 t80 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 122.565 0.346 . . . . 0.0 111.717 -179.265 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.42 ' C ' HD12 ' A' ' 3' ' ' ILE . 4.5 mt -140.19 152.31 45.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.42 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.4 mp -133.81 146.21 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -147.17 169.62 18.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.787 0.835 . . . . 0.0 109.877 -175.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -135.54 98.39 3.93 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 171.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.41 162.6 13.09 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.032 1.333 . . . . 0.0 108.854 -177.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -125.11 169.27 12.35 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 119.805 1.184 . . . . 0.0 111.572 174.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.446 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.2 m -59.39 135.4 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.02 -170.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.14 0.77 65.42 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.208 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -105.97 -179.57 3.98 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.836 0.818 . . . . 0.0 110.294 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -145.38 173.54 11.91 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -172.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.3 mt -152.36 158.16 4.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 127.211 2.204 . . . . 0.0 106.393 -173.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -136.15 157.81 45.91 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 118.731 0.696 . . . . 0.0 111.719 -175.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.9 mt -140.02 144.23 28.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 124.539 1.136 . . . . 0.0 108.792 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.05 -136.84 37.89 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.284 -1.127 . . . . 0.0 110.284 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -130.13 10.14 5.35 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.087 0.555 . . . . 0.0 110.262 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -141.88 10.93 2.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.115 0.566 . . . . 0.0 112.32 -176.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.08 146.45 34.08 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 CA-C-N 119.009 0.822 . . . . 0.0 110.446 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.3 m -138.63 156.02 47.8 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.761 0.824 . . . . 0.0 109.193 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -136.51 145.89 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.654 1.182 . . . . 0.0 108.112 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.5 m -142.72 147.1 35.07 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.556 0.217 . . . . 0.0 110.416 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.429 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 tp -105.91 92.72 2.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.41 -33.34 75.32 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.14 -0.35 . . . . 0.0 111.051 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.446 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.88 -171.38 38.66 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.636 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 m -133.58 160.59 42.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 CA-C-O 120.818 0.342 . . . . 0.0 111.428 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.7 p -150.69 89.41 1.55 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.98 -121.57 9.36 Favored Glycine 0 C--N 1.338 0.686 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -175.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -88.36 -19.03 27.18 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 117.707 0.754 . . . . 0.0 109.713 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.69 146.11 51.83 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.6 t -137.54 118.25 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -79.92 119.46 22.81 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -126.46 152.98 34.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.22 156.35 22.34 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.7 mt -140.3 144.24 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -175.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -140.89 108.06 5.48 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.53 158.01 38.27 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 123.609 0.764 . . . . 0.0 109.792 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.68 158.33 50.97 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 123.274 2.649 . . . . 0.0 110.738 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -69.06 -0.82 6.28 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-O 121.228 0.537 . . . . 0.0 110.205 173.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.78 -10.27 45.75 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.803 1.241 . . . . 0.0 110.938 173.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -138.66 167.91 20.33 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 C-N-CA 123.8 0.84 . . . . 0.0 109.399 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.15 153.61 22.91 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.685 0.279 . . . . 0.0 110.641 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.17 129.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -155.59 170.49 21.87 Favored 'General case' 0 C--N 1.335 -0.046 0 C-N-CA 123.623 0.769 . . . . 0.0 109.433 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -77.05 164.59 25.58 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 173.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -59.15 -20.67 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -70.84 -48.3 54.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.024 -0.423 . . . . 0.0 111.223 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.4 mm -77.78 -24.92 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.094 0 CA-C-O 120.629 0.252 . . . . 0.0 110.341 -173.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 84.3 t80 . . . . . 0 N--CA 1.454 -0.233 0 C-N-CA 123.108 0.563 . . . . 0.0 112.067 -177.787 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.4 tpt . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mt -137.71 154.23 49.67 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -136.36 147.4 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -144.6 165.3 28.41 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.079 0.952 . . . . 0.0 109.335 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.65 95.94 4.12 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 172.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.409 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 3.7 tpm_? -101.59 162.47 12.88 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.848 1.259 . . . . 0.0 108.183 -177.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -128.46 167.45 17.04 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 119.19 0.904 . . . . 0.0 110.951 174.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.433 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.5 m -55.4 130.54 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.307 -170.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.85 -2.2 56.89 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.659 176.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -107.95 -179.29 3.85 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.174 0.987 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 32.5 m -142.24 168.78 18.92 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 73.6 mt -140.93 163.72 21.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 126.758 2.023 . . . . 0.0 106.508 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -138.93 154.09 48.31 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 119.053 0.842 . . . . 0.0 112.099 -175.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mt -141.44 147.65 21.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 123.83 0.852 . . . . 0.0 108.892 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.0 -139.34 33.34 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -130.21 10.76 5.39 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.222 0.609 . . . . 0.0 110.052 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -141.37 11.01 2.11 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.317 0.647 . . . . 0.0 111.555 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.7 144.43 38.09 Favored 'Isoleucine or valine' 0 C--N 1.343 0.288 0 CA-C-N 118.844 0.747 . . . . 0.0 110.914 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 52.9 m -141.05 155.43 46.16 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.469 1.108 . . . . 0.0 108.063 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -133.55 147.77 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 10.0 m -140.79 145.67 36.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.862 0.363 . . . . 0.0 110.24 -176.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.416 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.2 tp -106.14 92.3 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.09 -26.2 66.6 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -171.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.433 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 159.57 -172.07 36.11 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 118.118 0.417 . . . . 0.0 112.309 177.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -133.14 160.36 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.087 0 CA-C-N 117.281 0.541 . . . . 0.0 111.403 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.5 t -150.9 89.43 1.54 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.63 -132.84 29.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 109.374 -1.491 . . . . 0.0 109.374 -174.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -77.12 -20.61 55.41 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 117.642 0.721 . . . . 0.0 109.332 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.67 147.13 51.01 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 176.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 89.7 t -137.27 123.23 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -85.75 127.77 34.62 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 mt -134.97 154.9 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -170.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.48 157.35 22.02 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.9 mt -139.95 135.0 37.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -134.44 98.26 4.04 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.246 0.546 . . . . 0.0 109.838 -174.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.26 155.21 50.39 Favored Pre-proline 0 N--CA 1.447 -0.6 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.73 154.13 62.74 Favored 'Trans proline' 0 N--CA 1.443 -1.492 0 C-N-CA 121.958 1.772 . . . . 0.0 109.333 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -63.64 -6.03 4.84 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 121.626 0.727 . . . . 0.0 110.057 175.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -63.23 -10.78 17.12 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 126.119 1.768 . . . . 0.0 112.041 175.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 m -134.15 158.43 42.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.73 142.96 29.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.492 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.418 ' CG2' HD12 ' A' ' 2' ' ' LEU . 4.7 m -147.63 135.13 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 172.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -155.12 165.13 37.66 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -67.16 157.68 33.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 172.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -64.24 -8.92 14.23 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.7 -48.75 53.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.929 -0.482 . . . . 0.0 110.714 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.3 mm -78.51 -24.86 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-O 120.649 0.262 . . . . 0.0 110.544 -173.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 79.9 t80 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 -179.875 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.415 -0.326 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mt -137.98 153.58 49.43 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -136.17 145.83 30.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -146.46 166.58 25.97 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.013 0.925 . . . . 0.0 109.357 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m -134.64 94.44 3.19 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -104.38 162.61 13.07 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.9 1.28 . . . . 0.0 108.722 -175.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -124.23 169.27 11.91 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 119.812 1.187 . . . . 0.0 111.781 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.461 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 6.2 m -58.73 131.77 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.968 -170.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.14 -1.79 57.71 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.106 177.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -104.22 179.6 4.22 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.592 0.696 . . . . 0.0 110.162 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.6 m -143.16 168.26 20.17 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -173.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.0 mt -143.16 164.94 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -139.47 155.33 47.64 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.828 0.74 . . . . 0.0 111.823 -176.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.9 mt -141.92 149.01 20.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.02 -140.27 35.45 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -129.24 10.29 5.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.652 0.781 . . . . 0.0 109.663 177.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -144.27 11.94 1.54 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.53 0.732 . . . . 0.0 111.7 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.63 146.78 33.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 CA-C-N 118.951 0.796 . . . . 0.0 110.509 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.7 m -141.08 155.4 46.15 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 mm -135.03 147.86 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -142.97 145.5 33.04 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.429 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.0 OUTLIER -105.8 91.89 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.2 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.28 -27.85 68.25 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -172.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.461 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.97 -173.42 36.64 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 118.181 0.446 . . . . 0.0 113.01 178.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -135.98 161.91 37.25 Favored 'Isoleucine or valine' 0 C--N 1.339 0.149 0 CA-C-O 120.805 0.336 . . . . 0.0 111.456 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -150.07 89.46 1.6 Allowed 'General case' 0 CA--C 1.523 -0.088 0 C-N-CA 124.178 0.991 . . . . 0.0 108.732 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.85 -102.54 1.33 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -106.8 -18.07 14.04 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -70.29 150.6 46.21 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -138.61 118.34 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -88.21 124.16 33.57 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -130.09 154.56 40.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -170.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.49 156.77 22.02 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -140.58 145.43 25.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -176.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -140.8 107.24 5.28 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.13 156.76 43.45 Favored Pre-proline 0 N--CA 1.454 -0.226 0 C-N-CA 123.097 0.559 . . . . 0.0 110.384 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.87 157.06 58.64 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 123.445 2.763 . . . . 0.0 111.061 175.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 38' ' ' LYS . 8.8 mmmm -72.61 -0.78 13.84 Favored 'General case' 0 N--CA 1.46 0.055 0 CA-C-O 120.764 0.316 . . . . 0.0 110.751 175.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.24 -8.16 47.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.97 0.908 . . . . 0.0 110.389 171.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m -139.23 169.1 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.322 1.049 . . . . 0.0 109.041 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.22 162.54 18.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.114 -0.367 . . . . 0.0 111.186 -174.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 p -156.9 127.11 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 123.47 0.708 . . . . 0.0 109.356 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -154.68 173.33 16.54 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 122.629 0.372 . . . . 0.0 110.785 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -72.11 155.87 39.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 169.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -19.6 17.38 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -178.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -63.94 -48.73 75.37 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.434 0.561 . . . . 0.0 110.146 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.0 mm -77.67 -26.93 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.208 -174.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.5 t80 . . . . . 0 N--CA 1.452 -0.344 0 C-N-CA 122.848 0.459 . . . . 0.0 111.279 -177.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 119.429 -0.319 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' C' ' 2' ' ' LEU . 0.8 OUTLIER -138.3 155.95 48.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 175.508 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.404 HD12 ' C ' ' C' ' 2' ' ' LEU . 4.9 mp -135.28 148.57 28.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 85.5 mt -146.65 171.07 15.68 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.05 0.94 . . . . 0.0 110.023 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -139.56 106.23 5.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.102 0.477 . . . . 0.0 110.29 170.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.72 177.73 4.76 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.531 1.133 . . . . 0.0 109.367 176.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -132.7 170.44 15.23 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 110.455 169.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.449 ' HA ' HG13 ' C' ' 22' ' ' ILE . 10.6 m -57.3 133.9 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-O 121.059 0.457 . . . . 0.0 112.05 -172.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.93 -2.39 59.99 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.285 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -104.55 -178.62 3.71 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.824 0.812 . . . . 0.0 111.539 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 12.5 p -147.07 169.45 19.23 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -176.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 mm -139.81 164.47 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 127.245 2.218 . . . . 0.0 106.851 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -136.58 153.63 50.91 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.789 -0.569 . . . . 0.0 111.485 -174.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 39.3 mt -142.62 147.4 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.61 0.764 . . . . 0.0 109.139 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.17 -139.27 41.49 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -129.91 10.07 5.44 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.313 0.645 . . . . 0.0 110.108 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -143.97 11.42 1.59 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.555 0.742 . . . . 0.0 111.967 -177.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.29 144.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 CA-C-N 119.013 0.824 . . . . 0.0 110.487 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 88.8 m -141.26 155.68 45.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.961 0.904 . . . . 0.0 108.864 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.5 mm -133.68 145.41 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.0 m -139.42 145.51 38.98 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.449 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.4 tp -105.9 95.18 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.25 -29.03 69.19 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -173.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.433 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.66 -171.25 35.35 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.7 m -133.26 161.82 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-O 121.374 0.606 . . . . 0.0 111.504 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 34.4 t -151.17 89.68 1.54 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.01 -132.07 25.84 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 108.961 -1.656 . . . . 0.0 108.961 -174.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -79.12 -17.45 55.07 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 117.729 0.765 . . . . 0.0 109.755 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.65 146.38 50.02 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -137.5 118.87 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 106.077 -1.824 . . . . 0.0 106.077 -177.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -87.47 126.12 34.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -131.17 155.35 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -170.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.75 155.85 21.4 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.37 143.02 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -140.15 105.94 5.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.79 156.89 41.24 Favored Pre-proline 0 N--CA 1.451 -0.419 0 C-N-CA 123.782 0.833 . . . . 0.0 109.527 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.48 159.19 45.57 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.276 2.651 . . . . 0.0 110.761 175.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . 0.423 ' HD2' ' HA ' ' C' ' 38' ' ' LYS . 10.8 mmmm -70.27 -0.53 8.18 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-O 121.177 0.513 . . . . 0.0 110.434 172.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -67.02 -11.56 57.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.899 1.279 . . . . 0.0 110.655 173.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 m -138.85 168.09 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.958 0.903 . . . . 0.0 109.769 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.81 157.96 17.35 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.614 0.245 . . . . 0.0 110.769 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -157.52 128.81 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.23 0.066 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 173.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -155.18 171.05 20.44 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.474 0.71 . . . . 0.0 109.617 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -75.69 165.27 25.31 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 173.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -59.98 -20.92 60.24 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -175.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -70.13 -49.62 48.78 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 122.075 -0.391 . . . . 0.0 111.472 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 18.4 mm -76.77 -25.54 15.92 Favored 'Isoleucine or valine' 0 C--N 1.337 0.063 0 CA-C-O 120.961 0.41 . . . . 0.0 110.696 -173.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 87.1 t80 . . . . . 0 N--CA 1.451 -0.398 0 C-N-CA 122.703 0.401 . . . . 0.0 111.326 -178.06 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 tpt . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.402 ' C ' HD12 ' A' ' 3' ' ' ILE . 5.3 mt -137.64 151.58 48.44 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.402 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.6 mp -134.71 144.45 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.9 mt -147.84 166.05 28.74 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 123.812 0.845 . . . . 0.0 109.797 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -133.83 96.39 3.66 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-O 121.201 0.524 . . . . 0.0 109.957 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.406 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -93.01 179.45 5.44 Favored 'General case' 0 C--N 1.335 -0.064 0 C-N-CA 125.013 1.325 . . . . 0.0 109.218 177.751 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -136.08 172.32 13.19 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 168.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.425 ' HA ' HG13 ' A' ' 22' ' ' ILE . 11.7 m -59.72 135.09 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-O 121.078 0.466 . . . . 0.0 111.834 -172.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.64 -1.28 61.67 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.301 178.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -102.08 -179.67 4.06 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 117.968 0.884 . . . . 0.0 110.878 -178.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 m -144.7 168.79 19.34 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -173.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.406 HD11 ' HD2' ' A' ' 6' ' ' ARG . 36.8 mm -142.87 164.4 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 126.014 1.726 . . . . 0.0 106.887 178.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -138.57 153.88 48.7 Favored 'General case' 0 C--O 1.23 0.078 0 O-C-N 121.422 -0.799 . . . . 0.0 111.564 -176.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.9 mt -141.07 146.83 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.0 -138.06 35.64 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -130.11 10.56 5.41 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.096 0.558 . . . . 0.0 109.744 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -142.42 11.83 1.92 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.609 0.764 . . . . 0.0 111.784 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.98 143.94 39.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 CA-C-N 118.707 0.685 . . . . 0.0 110.272 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 m -141.18 155.85 46.01 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.3 mm -135.37 148.43 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -178.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.4 m -142.32 146.85 35.47 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.425 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 tp -105.57 93.56 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 mt -63.4 -30.92 71.97 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -174.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.416 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.17 -170.17 34.9 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.1 m -128.93 161.51 38.03 Favored 'Isoleucine or valine' 0 C--O 1.23 0.062 0 CA-C-O 121.242 0.544 . . . . 0.0 111.165 178.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -150.21 89.3 1.57 Allowed 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.86 -139.97 35.62 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -173.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -71.33 -15.84 62.42 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 117.826 0.813 . . . . 0.0 110.064 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.44 149.79 38.45 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.5 t -135.19 124.25 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -177.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.1 ttm105 -94.02 125.05 38.42 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -132.23 155.35 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.619 -168.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.83 156.47 21.44 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.3 mt -140.62 142.24 30.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -176.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -140.14 106.27 5.23 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.11 156.01 43.5 Favored Pre-proline 0 N--CA 1.453 -0.286 0 C-N-CA 123.738 0.815 . . . . 0.0 109.92 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.7 159.0 47.41 Favored 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 123.202 2.602 . . . . 0.0 111.129 176.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -72.41 -0.85 13.6 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 122.674 0.39 . . . . 0.0 110.443 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -72.39 -6.26 42.21 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 124.263 1.025 . . . . 0.0 110.814 173.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m -138.03 168.77 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.612 0.765 . . . . 0.0 109.478 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.74 155.81 21.95 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.871 0.367 . . . . 0.0 111.348 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.24 128.64 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -154.4 172.74 17.24 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.343 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -69.55 154.13 42.45 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -58.72 -22.57 57.89 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.549 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -67.97 -46.41 71.46 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.462 0.705 . . . . 0.0 111.144 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.5 mm -78.09 -28.51 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 122.253 0.221 . . . . 0.0 110.488 -174.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.6 t80 . . . . . 0 N--CA 1.452 -0.336 0 C-N-CA 123.155 0.582 . . . . 0.0 111.614 -177.366 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.2 tpt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.417 -0.325 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mt -134.89 154.03 51.83 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.297 0.499 . . . . 0.0 110.014 176.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -134.47 148.72 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 76.2 mt -145.86 165.27 29.4 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.824 0.849 . . . . 0.0 110.542 -173.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.61 96.26 2.95 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.415 ' HD2' HD11 ' C' ' 12' ' ' ILE . 1.3 mtp180 -106.81 168.9 8.87 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 124.498 1.119 . . . . 0.0 111.207 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -110.58 166.0 11.35 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -64.68 135.82 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 120.034 -0.667 . . . . 0.0 110.345 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.48 5.91 64.74 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.527 -0.596 . . . . 0.0 112.196 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -109.83 178.27 4.47 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.095 0.948 . . . . 0.0 111.034 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.5 m -143.61 168.11 20.66 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -171.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.415 HD11 ' HD2' ' C' ' 6' ' ' ARG . 39.8 mm -144.06 163.26 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 127.059 2.143 . . . . 0.0 107.089 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -135.15 155.92 49.87 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 118.732 0.696 . . . . 0.0 112.318 -176.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 43.2 mt -142.97 146.81 21.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.638 1.175 . . . . 0.0 109.115 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.8 -140.86 33.53 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 -178.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -130.19 10.5 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.455 0.702 . . . . 0.0 110.421 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -141.09 11.92 2.2 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.703 0.801 . . . . 0.0 111.947 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -128.81 144.16 38.94 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 CA-C-N 118.971 0.805 . . . . 0.0 111.029 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 42.7 m -140.7 156.14 46.29 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -133.32 145.75 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 53.3 m -142.24 146.06 34.75 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -105.46 99.21 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -67.61 -28.27 67.6 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -174.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.41 -172.84 34.23 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-N 117.944 0.338 . . . . 0.0 112.543 175.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -134.17 161.33 40.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.888 0.344 . . . . 0.0 111.366 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -150.34 89.74 1.6 Allowed 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.6 -102.29 1.49 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 109.786 -1.325 . . . . 0.0 109.786 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -107.06 -19.08 13.73 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 117.27 0.535 . . . . 0.0 109.73 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -68.1 149.72 49.28 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -139.66 110.28 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -84.47 124.65 31.59 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mt -127.05 155.04 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -171.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.07 154.51 19.87 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 177.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.9 mt -140.33 136.96 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -133.33 98.56 4.27 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 121.292 0.567 . . . . 0.0 110.037 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.86 153.22 57.22 Favored Pre-proline 0 N--CA 1.449 -0.479 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.058 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.9 152.77 77.21 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 122.28 1.987 . . . . 0.0 109.823 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -7.39 12.11 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-O 121.587 0.708 . . . . 0.0 111.017 177.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.46 -9.57 19.43 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.528 1.531 . . . . 0.0 112.193 174.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.38 167.94 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.68 155.12 18.52 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.813 -175.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -160.37 131.12 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 172.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -155.45 170.94 20.78 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.04 0.536 . . . . 0.0 110.427 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -73.06 157.48 37.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 170.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -21.76 63.87 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.812 -0.755 . . . . 0.0 111.337 177.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.49 -28.53 69.26 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 122.192 -0.318 . . . . 0.0 110.362 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 14.4 mm -99.46 -31.84 3.58 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.101 0 C-N-CA 122.609 0.364 . . . . 0.0 110.111 -176.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 75.5 t80 . . . . . 0 N--CA 1.454 -0.264 0 C-N-CA 122.346 0.259 . . . . 0.0 111.178 -178.603 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 tpt . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 119.5 -0.286 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 3' ' ' ILE . 5.1 mt -140.54 153.62 46.22 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 122.858 0.463 . . . . 0.0 110.132 175.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.415 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.5 mp -137.48 147.14 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.6 mt -144.25 167.27 22.82 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.263 1.025 . . . . 0.0 109.549 -176.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -134.14 99.28 4.36 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.409 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -103.52 177.71 4.76 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.41 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -133.47 169.4 17.02 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 172.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.434 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.9 m -57.45 132.96 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-O 121.257 0.551 . . . . 0.0 111.977 -172.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.43 -12.11 59.89 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.659 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -87.84 -178.62 6.08 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 117.84 0.82 . . . . 0.0 111.331 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -145.45 167.63 22.49 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.341 0.591 . . . . 0.0 111.654 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -141.08 164.47 20.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 125.503 1.521 . . . . 0.0 106.936 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -138.66 153.7 48.59 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 118.833 0.742 . . . . 0.0 111.883 -176.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.6 mt -141.26 148.22 21.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.85 -141.08 33.28 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -130.21 10.73 5.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.193 0.597 . . . . 0.0 110.4 175.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -138.39 11.21 2.76 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.126 0.97 . . . . 0.0 111.625 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.67 144.68 37.26 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-N 119.154 0.888 . . . . 0.0 110.941 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.7 m -140.15 155.75 46.84 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.2 mm -134.3 149.12 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.6 m -140.66 146.47 37.91 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.431 HG13 ' HA ' ' A' ' 8' ' ' VAL . 2.0 tp -105.5 95.88 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.91 -28.79 68.59 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.151 -0.343 . . . . 0.0 111.481 -175.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.434 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.33 -171.06 35.13 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-N 118.082 0.401 . . . . 0.0 112.902 176.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -136.33 163.58 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 117.097 0.448 . . . . 0.0 111.434 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.7 t -152.03 89.67 1.47 Allowed 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.905 0.882 . . . . 0.0 108.966 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.4 -88.41 0.81 Allowed Glycine 0 C--N 1.338 0.672 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -118.98 -20.1 8.24 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 122.678 0.391 . . . . 0.0 109.958 174.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -71.72 149.72 45.17 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.5 t -137.19 110.74 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -81.36 125.63 30.61 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 mt -126.99 155.24 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -172.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.09 154.46 19.86 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -140.24 140.11 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -175.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -139.69 104.6 4.95 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -175.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.11 154.67 50.6 Favored Pre-proline 0 N--CA 1.448 -0.528 0 C-N-CA 124.087 0.955 . . . . 0.0 108.627 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -60.87 153.64 61.79 Favored 'Trans proline' 0 N--CA 1.444 -1.434 0 C-N-CA 122.292 1.995 . . . . 0.0 110.249 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -65.45 -5.01 6.59 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.944 0.402 . . . . 0.0 110.244 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -73.6 -7.97 54.09 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.05 1.74 . . . . 0.0 112.678 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.4 m -132.65 168.59 23.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.54 153.94 20.54 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.804 0.335 . . . . 0.0 111.541 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -157.15 128.24 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 174.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -155.46 173.05 17.23 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.952 0.501 . . . . 0.0 110.361 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 74.9 ttt180 -68.63 156.17 38.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 173.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -58.87 -22.96 60.25 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.673 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.41 ' H ' ' HG2' ' A' ' 44' ' ' ARG . 18.3 tp10 -67.65 -49.03 64.95 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.148 0.579 . . . . 0.0 110.752 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 mm -76.85 -24.87 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 122.385 0.274 . . . . 0.0 110.334 -173.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.3 t80 . . . . . 0 N--CA 1.45 -0.443 0 C-N-CA 123.018 0.527 . . . . 0.0 111.577 -178.525 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 19.0 tpt . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 119.493 -0.289 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mt -140.41 154.52 46.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.02 136.93 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -131.83 164.81 25.23 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 125.321 1.448 . . . . 0.0 109.252 -173.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.5 m -138.54 98.64 3.63 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 171.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -104.69 162.93 12.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.816 1.246 . . . . 0.0 108.695 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -124.46 168.54 12.92 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 119.365 0.984 . . . . 0.0 110.598 172.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.457 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.1 m -58.39 127.09 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.06 -170.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.22 3.08 54.28 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.41 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -115.26 177.03 4.81 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.19 0.995 . . . . 0.0 110.337 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 51.8 m -141.64 168.77 18.96 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -169.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 51.5 mt -141.81 165.15 18.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 126.193 1.797 . . . . 0.0 106.966 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -139.06 156.46 47.16 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 119.054 0.843 . . . . 0.0 112.3 -176.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 52.9 mt -140.99 150.86 20.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 124.083 0.953 . . . . 0.0 108.771 177.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.76 -140.0 34.98 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -129.48 10.41 5.68 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.84 0.856 . . . . 0.0 109.853 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -144.12 11.42 1.55 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.425 0.69 . . . . 0.0 111.839 -176.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.07 146.74 33.15 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 CA-C-N 118.865 0.757 . . . . 0.0 110.569 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -141.15 154.72 46.02 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.751 0.82 . . . . 0.0 108.93 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.4 145.54 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -143.29 146.44 33.59 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 121.018 0.437 . . . . 0.0 110.038 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.18 97.97 6.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 177.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.4 mt -68.04 -33.91 75.47 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.743 -174.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.457 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 165.32 -176.19 41.0 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.298 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.2 161.14 41.22 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 121.192 0.52 . . . . 0.0 111.201 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 19.0 p -151.52 89.46 1.49 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.863 0.865 . . . . 0.0 109.074 175.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.54 -99.28 1.46 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -112.4 -17.86 12.6 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -70.34 148.68 48.18 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -137.53 116.9 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.87 118.16 20.65 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 174.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -124.6 152.72 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -176.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.26 154.51 20.88 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -140.72 144.81 26.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -176.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -140.6 108.76 5.77 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -176.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.68 157.74 40.77 Favored Pre-proline 0 N--CA 1.455 -0.187 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.375 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.06 159.25 43.59 Favored 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 123.189 2.593 . . . . 0.0 111.04 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . 0.433 ' HD2' ' HA ' ' C' ' 38' ' ' LYS . 11.4 mmmm -71.03 -0.17 8.87 Favored 'General case' 0 C--O 1.23 0.054 0 CA-C-O 121.162 0.506 . . . . 0.0 110.069 173.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.49 -11.68 58.51 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.008 1.323 . . . . 0.0 110.594 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -139.24 168.1 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.158 0.983 . . . . 0.0 109.342 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.48 157.04 18.8 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.203 0.201 . . . . 0.0 110.521 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -156.71 128.57 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 175.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -156.21 172.3 18.69 Favored 'General case' 0 C--O 1.23 0.052 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.522 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 5.4 ptp85 -80.64 166.35 21.17 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -58.83 -23.55 60.78 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . 0.522 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 55.0 tt0 -69.65 -38.15 77.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.014 0.526 . . . . 0.0 112.0 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.7 mm -90.53 -24.62 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.0 t80 . . . . . 0 N--CA 1.448 -0.53 0 C-N-CA 122.647 0.379 . . . . 0.0 111.526 -179.843 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 tpt . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mt -136.04 156.31 48.92 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 172.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -138.36 147.54 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 175.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -143.16 167.62 21.68 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.709 0.804 . . . . 0.0 109.516 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -135.98 95.58 3.24 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 172.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.645 HH21 HG22 ' A' ' 22' ' ' ILE . 9.1 ttp180 -107.47 179.51 4.22 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.956 0.902 . . . . 0.0 109.562 -177.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -137.4 171.31 14.66 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 118.453 0.569 . . . . 0.0 111.533 174.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.468 ' HA ' HG13 ' A' ' 22' ' ' ILE . 10.3 m -56.79 136.28 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.982 -173.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.72 -6.52 67.5 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.064 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -94.38 179.24 5.36 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.277 1.038 . . . . 0.0 111.502 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.2 m -146.41 166.33 26.69 Favored 'General case' 0 C--N 1.341 0.223 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -178.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 13' ' ' ASN . 35.4 mm -143.87 168.6 11.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 125.893 1.677 . . . . 0.0 107.716 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.416 ' N ' HG22 ' A' ' 12' ' ' ILE . 19.0 m120 -136.65 153.6 50.87 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.106 0.479 . . . . 0.0 112.117 -176.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -140.34 150.14 21.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 124.088 0.955 . . . . 0.0 108.702 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.92 -140.08 31.64 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -129.84 10.55 5.53 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.162 0.585 . . . . 0.0 110.374 176.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -142.1 12.65 2.01 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.888 0.875 . . . . 0.0 111.883 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -127.82 146.9 32.71 Favored 'Isoleucine or valine' 0 C--N 1.34 0.163 0 CA-C-N 118.977 0.808 . . . . 0.0 111.114 -178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.9 m -141.16 155.04 46.14 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.295 1.038 . . . . 0.0 108.676 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.9 mm -134.48 145.72 32.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.1 m -140.46 148.97 41.95 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.645 HG22 HH21 ' A' ' 6' ' ' ARG . 2.8 tp -108.22 94.59 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -66.13 -27.97 68.44 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -173.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.432 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 155.99 -169.95 33.68 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 118.141 0.428 . . . . 0.0 112.151 177.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -131.94 161.97 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 CA-C-O 121.047 0.451 . . . . 0.0 111.181 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.5 t -150.99 90.39 1.61 Allowed 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 176.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.83 -135.46 28.39 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -173.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -75.32 -17.36 60.27 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 117.72 0.76 . . . . 0.0 110.267 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.9 149.96 47.28 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.4 t -137.97 119.27 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 105.799 -1.926 . . . . 0.0 105.799 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -87.94 127.76 35.37 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mt -135.35 155.22 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -169.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.15 154.79 21.17 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.161 -1.175 . . . . 0.0 110.161 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.8 mt -140.59 144.09 27.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -176.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -140.53 107.67 5.48 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.54 157.96 40.92 Favored Pre-proline 0 C--O 1.234 0.262 0 C-N-CA 123.809 0.844 . . . . 0.0 109.212 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -64.58 159.79 43.06 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.448 2.765 . . . . 0.0 110.858 175.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 11.2 mmmm -71.82 -0.53 11.41 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-O 121.025 0.441 . . . . 0.0 109.887 172.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.87 -11.61 56.41 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.704 1.201 . . . . 0.0 110.673 172.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -138.53 168.34 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.028 0.931 . . . . 0.0 109.66 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.19 155.88 22.26 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.326 -0.234 . . . . 0.0 110.819 -176.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.99 130.33 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -155.41 174.63 14.97 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.474 0.709 . . . . 0.0 109.511 177.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -73.56 164.04 27.2 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -60.88 -27.41 68.12 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.391 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -65.89 -38.26 88.29 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.976 0.511 . . . . 0.0 111.1 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -91.69 -29.36 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 122.19 0.196 . . . . 0.0 110.81 -173.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 84.9 t80 . . . . . 0 N--CA 1.454 -0.238 0 C-N-CA 123.521 0.728 . . . . 0.0 111.622 -178.712 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.423 ' C ' HD12 ' C' ' 3' ' ' ILE . 5.2 mt -134.51 151.92 51.44 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.423 HD12 ' C ' ' C' ' 2' ' ' LEU . 4.5 mp -133.27 148.17 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -145.39 166.19 26.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.917 0.887 . . . . 0.0 110.082 -175.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.72 94.5 2.84 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.12 174.35 5.91 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 124.425 1.09 . . . . 0.0 109.431 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -131.53 171.2 13.7 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 118.535 0.607 . . . . 0.0 111.312 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.442 ' HA ' HG13 ' C' ' 22' ' ' ILE . 6.1 m -57.71 131.73 21.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.658 -171.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.98 0.71 58.65 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.392 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -104.98 178.37 4.58 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.091 0.946 . . . . 0.0 110.686 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 44.4 m -143.87 167.62 21.88 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -173.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 43.4 mt -143.37 165.16 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 125.809 1.643 . . . . 0.0 106.975 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -141.59 155.37 45.76 Favored 'General case' 0 N--CA 1.458 -0.075 0 O-C-N 121.443 -0.786 . . . . 0.0 112.241 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 52.7 mt -140.83 148.28 21.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 C-N-CA 124.176 0.99 . . . . 0.0 108.44 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.13 -138.78 38.64 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -129.94 10.41 5.47 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.575 0.75 . . . . 0.0 109.847 176.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -142.25 10.67 1.92 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.318 0.647 . . . . 0.0 112.016 -176.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -127.75 145.98 34.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 118.681 0.673 . . . . 0.0 110.353 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 46.3 m -140.05 155.16 47.18 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.5 mm -135.06 145.39 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 15.0 m -139.96 146.07 38.67 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.442 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.2 tp -105.65 95.69 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.32 -24.93 62.21 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -172.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.428 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.39 -173.98 35.52 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 118.057 0.39 . . . . 0.0 113.153 176.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -136.51 160.99 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 117.064 0.432 . . . . 0.0 111.714 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -150.21 89.03 1.55 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.603 1.161 . . . . 0.0 108.813 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.91 -102.4 1.54 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -106.64 -19.85 13.54 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 117.577 0.689 . . . . 0.0 109.289 172.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -68.26 149.03 49.97 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 53.0 t -138.27 116.67 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -77.79 121.07 23.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 mt -128.49 154.96 39.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.99 157.72 22.78 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.4 142.92 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -140.0 107.27 5.51 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -177.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.4 156.99 42.54 Favored Pre-proline 0 N--CA 1.452 -0.348 0 C-N-CA 123.421 0.688 . . . . 0.0 109.858 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.56 158.21 51.1 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 123.277 2.651 . . . . 0.0 110.799 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -72.45 -0.65 13.15 Favored 'General case' 0 CA--C 1.527 0.081 0 CA-C-O 120.981 0.419 . . . . 0.0 110.406 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.4 -7.26 48.82 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.539 1.136 . . . . 0.0 111.218 173.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -136.77 168.58 21.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 123.653 0.781 . . . . 0.0 109.177 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.03 156.83 20.7 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.822 0.344 . . . . 0.0 111.391 -175.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -156.06 125.04 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -151.05 171.0 18.02 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' C' ' 44' ' ' ARG . 36.9 mtp-105 -71.33 160.94 31.89 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -61.75 -19.56 62.59 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.6 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -75.98 -50.25 15.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.128 0.571 . . . . 0.0 110.817 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.66 -30.23 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 122.807 0.443 . . . . 0.0 110.266 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.5 t80 . . . . . 0 N--CA 1.452 -0.363 0 C-N-CA 122.737 0.415 . . . . 0.0 111.917 -177.602 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mt -140.2 156.16 46.62 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 172.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -136.3 131.79 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 174.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -127.21 158.02 38.24 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 125.173 1.389 . . . . 0.0 108.302 -175.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -141.4 102.72 4.27 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.736 0.303 . . . . 0.0 110.31 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.509 HH22 ' HB ' ' C' ' 30' ' ' VAL . 0.0 OUTLIER -132.6 170.75 14.75 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HE3' ' OE1' ' C' ' 29' ' ' GLN . 7.9 ptpp? -114.5 175.26 5.56 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 -171.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.404 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 14.6 m -58.77 138.63 19.58 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 CA-C-O 121.034 0.445 . . . . 0.0 111.54 -174.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.46 -12.3 67.91 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.472 -0.627 . . . . 0.0 112.609 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -85.67 -178.83 6.74 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.116 0.958 . . . . 0.0 111.446 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -145.58 165.26 29.17 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.207 0.603 . . . . 0.0 111.584 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.9 mt -143.85 164.28 14.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -137.92 155.68 48.66 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 119.381 0.991 . . . . 0.0 112.562 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.7 mt -141.92 147.66 21.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 C-N-CA 124.054 0.942 . . . . 0.0 108.517 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.91 -140.88 33.9 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -129.21 10.4 5.8 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.739 0.815 . . . . 0.0 109.767 176.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -142.04 10.78 1.97 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.428 0.691 . . . . 0.0 111.616 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -129.1 144.31 38.57 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 CA-C-N 118.707 0.685 . . . . 0.0 110.894 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.0 m -140.85 155.23 46.38 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.2 mm -132.35 145.56 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 m -141.75 147.68 37.75 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.41 HG21 ' HE ' ' A' ' 6' ' ' ARG . 1.6 tp -105.54 108.09 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mt -75.28 -24.87 57.61 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.685 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.404 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 150.64 -169.83 30.5 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 174.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 m -135.57 163.86 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 117.48 0.64 . . . . 0.0 111.596 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -151.1 103.04 3.0 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.184 0.994 . . . . 0.0 108.671 175.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.87 -102.62 1.0 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -111.03 -14.69 13.88 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -70.45 148.74 47.96 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.5 t -136.73 109.77 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -83.99 128.21 34.4 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -130.02 155.31 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -170.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.2 153.09 19.33 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 176.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.1 mt -140.55 145.55 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -175.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -139.94 106.62 5.36 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -176.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.75 155.53 41.26 Favored Pre-proline 0 N--CA 1.452 -0.363 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.661 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.05 158.74 46.12 Favored 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 123.49 2.793 . . . . 0.0 111.213 176.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -72.33 -1.56 15.9 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.899 0.381 . . . . 0.0 110.749 175.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -72.21 -7.09 47.35 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.63 1.172 . . . . 0.0 110.818 174.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -138.39 168.36 19.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.46 157.75 20.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.574 0.225 . . . . 0.0 111.222 -175.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -155.79 125.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 123.07 0.548 . . . . 0.0 109.605 177.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -156.19 172.02 19.17 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.613 0.765 . . . . 0.0 109.442 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.408 HH22 ' HB2' ' C' ' 4' ' ' LEU . 8.9 ptp180 -78.07 166.66 22.53 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 175.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -61.15 -21.19 63.54 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -73.49 -47.55 40.3 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.816 -0.552 . . . . 0.0 110.518 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -76.15 -26.8 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 . . . . . 0 N--CA 1.452 -0.345 0 O-C-N 122.274 -0.266 . . . . 0.0 111.608 -178.647 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.8 tpt . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.424 ' C ' HD12 ' C' ' 3' ' ' ILE . 2.6 mt -140.03 150.62 44.62 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 174.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.424 HD12 ' C ' ' C' ' 2' ' ' LEU . 4.5 mp -138.49 133.47 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.408 ' HB2' HH22 ' A' ' 44' ' ' ARG . 1.2 pp -163.14 165.56 24.43 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.9 m -115.71 151.52 34.95 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.289 0.566 . . . . 0.0 110.571 -173.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -144.89 162.37 37.02 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.125 1.37 . . . . 0.0 107.431 -176.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -128.8 168.04 16.46 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 119.743 1.156 . . . . 0.0 110.335 169.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.448 ' HA ' HG13 ' C' ' 22' ' ' ILE . 7.8 m -56.82 134.44 21.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.988 -171.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.41 -0.63 63.7 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.395 -0.669 . . . . 0.0 112.83 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -106.38 -178.91 3.79 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.272 1.036 . . . . 0.0 110.378 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 39.9 m -143.09 167.8 21.24 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -173.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mm -141.31 165.7 18.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 126.631 1.972 . . . . 0.0 106.958 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -139.56 153.95 47.53 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.551 0.614 . . . . 0.0 112.163 -176.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 53.7 mt -141.14 147.36 22.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 123.961 0.904 . . . . 0.0 108.829 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.03 -141.17 37.56 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -129.2 10.46 5.81 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.154 0.582 . . . . 0.0 109.607 176.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -141.9 11.31 2.01 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.398 0.679 . . . . 0.0 111.737 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.49 145.93 34.97 Favored 'Isoleucine or valine' 0 C--N 1.342 0.245 0 CA-C-N 118.667 0.667 . . . . 0.0 110.634 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 56.6 m -141.25 155.67 45.99 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.604 0.762 . . . . 0.0 109.112 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -135.03 143.34 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 32.8 m -142.9 121.76 12.72 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.448 HG13 ' HA ' ' C' ' 8' ' ' VAL . 2.0 tp -79.92 100.52 4.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mt -69.94 -30.85 68.33 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.187 -0.321 . . . . 0.0 111.447 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.421 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.69 -172.53 35.57 Favored Glycine 0 C--N 1.341 0.817 0 C-N-CA 121.61 -0.329 . . . . 0.0 112.748 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -132.66 164.16 35.85 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-O 121.06 0.457 . . . . 0.0 111.624 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 46.2 t -152.35 92.13 1.66 Allowed 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 124.062 0.945 . . . . 0.0 109.195 176.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.29 -102.01 1.79 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 -178.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -112.61 -16.17 12.88 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 172.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.426 ' OE1' ' HE3' ' A' ' 7' ' ' LYS . 3.3 mp0 -67.53 148.39 51.53 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.509 ' HB ' HH22 ' A' ' 6' ' ' ARG . 63.1 t -138.39 113.37 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -87.29 128.75 35.17 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -133.02 153.52 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -175.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.3 156.72 15.53 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 56.3 mt -140.69 142.98 29.61 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -140.33 107.37 5.45 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.34 156.62 42.74 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 123.601 0.76 . . . . 0.0 109.959 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.27 158.8 50.43 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 123.378 2.719 . . . . 0.0 111.137 175.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' C' ' 38' ' ' LYS . 10.0 mmmm -73.19 -0.88 15.54 Favored 'General case' 0 C--N 1.339 0.112 0 O-C-N 122.172 -0.33 . . . . 0.0 110.877 174.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.2 -6.72 41.71 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.005 0.922 . . . . 0.0 110.705 172.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -138.92 168.5 19.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 123.974 0.909 . . . . 0.0 108.892 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.23 158.5 18.89 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 111.149 -176.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -158.69 128.87 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -154.87 170.73 20.99 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.718 0.407 . . . . 0.0 110.055 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 26.1 ttp-105 -73.34 158.34 35.27 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 173.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -57.99 -24.7 59.24 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.17 0.441 . . . . 0.0 110.415 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.08 -35.23 74.04 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.501 0.72 . . . . 0.0 111.457 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -91.28 -30.42 4.81 Favored 'Isoleucine or valine' 0 C--N 1.338 0.096 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.8 t80 . . . . . 0 N--CA 1.454 -0.262 0 C-N-CA 122.877 0.471 . . . . 0.0 111.492 -177.671 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mt -138.81 152.54 47.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -135.7 148.68 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -148.17 169.7 19.45 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.622 0.769 . . . . 0.0 110.17 -175.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -133.63 97.86 4.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 172.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -101.99 163.15 12.4 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 125.088 1.355 . . . . 0.0 108.031 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -129.13 167.53 17.44 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 118.877 0.762 . . . . 0.0 110.885 173.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.463 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 5.8 m -56.11 131.99 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.298 -170.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.95 -4.14 57.43 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.498 177.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -105.55 -179.1 3.84 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.326 1.063 . . . . 0.0 111.108 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 m -141.96 168.48 19.64 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mm -141.39 163.44 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 126.978 2.111 . . . . 0.0 107.129 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -137.8 153.99 49.6 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.73 -0.606 . . . . 0.0 112.205 -175.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.7 mt -141.26 148.29 21.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 123.725 0.81 . . . . 0.0 109.094 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.79 -138.27 38.23 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -129.89 10.5 5.5 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.45 0.7 . . . . 0.0 109.978 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -143.37 11.06 1.7 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.13 0.572 . . . . 0.0 111.83 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.85 145.16 36.1 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 CA-C-N 118.943 0.792 . . . . 0.0 110.834 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 m -141.31 155.78 45.93 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.4 mm -134.63 146.78 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -140.81 145.49 36.36 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.445 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.6 tp -106.11 94.35 3.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -67.46 -27.67 67.23 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -173.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.63 -173.31 35.63 Favored Glycine 0 C--N 1.34 0.778 0 CA-C-N 118.435 0.561 . . . . 0.0 112.742 177.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -136.37 163.3 34.06 Favored 'Isoleucine or valine' 0 C--N 1.34 0.164 0 CA-C-N 117.042 0.421 . . . . 0.0 111.421 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.3 t -152.81 89.57 1.4 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.968 0.907 . . . . 0.0 108.945 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.51 -102.08 1.58 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.076 -1.209 . . . . 0.0 110.076 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -106.85 -16.78 14.38 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 173.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -69.47 148.19 49.87 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.0 t -139.74 114.68 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 ttt-85 -85.72 127.92 34.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -134.02 154.9 38.84 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -170.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.96 156.54 21.22 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.9 mt -140.54 142.23 31.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -140.37 106.05 5.13 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.75 158.0 40.21 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.693 0.797 . . . . 0.0 109.887 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -65.03 159.87 44.4 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 123.154 2.57 . . . . 0.0 110.992 175.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -71.44 -1.59 13.69 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.187 0.518 . . . . 0.0 109.652 173.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.04 -12.37 54.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.087 1.355 . . . . 0.0 110.759 173.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 m -135.96 168.33 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 123.995 0.918 . . . . 0.0 108.767 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.92 157.93 20.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 120.634 0.254 . . . . 0.0 110.375 -176.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.61 125.77 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 177.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -154.02 171.3 19.28 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 122.811 0.444 . . . . 0.0 110.343 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -69.72 157.04 38.04 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 175.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -57.93 -27.86 63.75 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.187 -0.321 . . . . 0.0 110.388 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -63.88 -50.31 69.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.002 0.521 . . . . 0.0 110.314 176.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.3 mm -76.37 -29.29 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.624 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 N--CA 1.454 -0.247 0 C-N-CA 123.012 0.525 . . . . 0.0 111.505 -178.927 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.6 tpt . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 119.549 -0.262 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mt -134.45 153.72 51.77 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.21 152.2 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.0 mt -145.13 165.66 27.65 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.981 0.912 . . . . 0.0 109.65 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.29 100.2 4.06 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 170.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.697 HH21 HG22 ' C' ' 22' ' ' ILE . 9.6 ttp180 -116.16 176.57 5.04 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.339 1.055 . . . . 0.0 109.898 -174.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -131.8 170.48 14.78 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 118.27 0.486 . . . . 0.0 112.228 176.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.431 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.7 m -56.23 129.95 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.757 -173.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.92 -19.47 35.34 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.241 -0.755 . . . . 0.0 113.498 177.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.71 177.54 7.0 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.7 1.25 . . . . 0.0 111.835 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -142.61 163.95 31.43 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.745 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 39.5 mm -139.71 167.29 19.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 126.051 1.74 . . . . 0.0 107.447 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -136.04 153.7 51.27 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.272 0.487 . . . . 0.0 111.91 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 51.2 mt -140.1 154.17 23.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 C-N-CA 124.274 1.03 . . . . 0.0 108.673 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.66 -140.28 41.06 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -129.74 10.22 5.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.635 0.774 . . . . 0.0 109.296 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -146.81 13.64 1.16 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.367 0.667 . . . . 0.0 111.885 -176.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -127.03 148.41 31.85 Favored 'Isoleucine or valine' 0 C--N 1.343 0.303 0 CA-C-N 119.085 0.857 . . . . 0.0 110.804 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.0 m -141.07 154.75 46.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -133.71 146.38 31.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -141.86 148.18 38.36 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.697 HG22 HH21 ' C' ' 6' ' ' ARG . 2.2 tp -106.73 94.57 3.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 mt -66.51 -28.21 68.38 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.121 -0.362 . . . . 0.0 111.7 -173.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.431 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.26 -173.11 35.39 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 118.096 0.407 . . . . 0.0 112.33 175.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.44 159.57 38.03 Favored 'Isoleucine or valine' 0 C--N 1.34 0.178 0 CA-C-N 117.276 0.538 . . . . 0.0 111.216 178.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 55.7 m -150.92 90.66 1.64 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 124.479 1.111 . . . . 0.0 108.664 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.25 -109.26 2.73 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -177.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -103.03 -16.95 15.64 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.98 145.15 53.84 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 81.9 t -137.38 114.26 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -85.46 125.27 32.9 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -129.83 152.95 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 123.344 0.402 . . . . 0.0 109.943 -171.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.16 154.41 18.9 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 109.999 -1.241 . . . . 0.0 109.999 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -140.32 139.82 35.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -137.98 105.99 5.7 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.17 155.95 50.58 Favored Pre-proline 0 N--CA 1.448 -0.54 0 C-N-CA 123.733 0.813 . . . . 0.0 108.868 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -62.02 153.98 65.15 Favored 'Trans proline' 0 N--CA 1.445 -1.37 0 C-N-CA 122.278 1.985 . . . . 0.0 110.105 178.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -66.03 -4.61 7.53 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.744 0.307 . . . . 0.0 110.308 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -74.19 -7.29 52.15 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 125.88 1.672 . . . . 0.0 112.7 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 24.8 m -132.98 168.41 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.75 154.69 19.67 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 120.975 0.417 . . . . 0.0 111.624 -175.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -157.88 127.51 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.165 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -153.63 172.86 16.57 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.72 0.408 . . . . 0.0 109.913 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 mtp-105 -72.0 158.9 35.14 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -59.01 -27.1 65.12 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.127 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -66.43 -38.03 86.51 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.152 0.581 . . . . 0.0 111.469 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.9 mm -90.95 -27.99 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-O 120.613 0.244 . . . . 0.0 110.775 -172.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.2 t80 . . . . . 0 N--CA 1.452 -0.349 0 C-N-CA 123.446 0.699 . . . . 0.0 111.409 -179.553 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 tpt . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.424 ' C ' HD12 ' A' ' 3' ' ' ILE . 5.4 mt -140.51 152.73 45.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 176.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.424 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.3 mp -135.39 146.54 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 176.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.6 mt -147.32 168.47 21.7 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.881 0.872 . . . . 0.0 109.671 -176.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -130.86 97.24 4.28 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 173.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -103.8 157.33 17.15 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.921 1.689 . . . . 0.0 108.175 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -118.94 170.8 8.72 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 119.678 1.126 . . . . 0.0 111.379 173.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.457 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 12.1 m -57.48 135.6 21.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.93 -173.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.34 -0.6 66.13 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.303 176.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -105.77 -178.36 3.63 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 117.877 0.838 . . . . 0.0 110.385 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.5 m -141.35 168.38 19.92 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -173.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 mm -140.98 166.05 18.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 126.458 1.903 . . . . 0.0 107.032 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -140.66 153.98 46.22 Favored 'General case' 0 N--CA 1.458 -0.075 0 O-C-N 121.315 -0.866 . . . . 0.0 111.652 -174.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.2 mt -141.72 147.78 21.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 C-N-CA 123.853 0.861 . . . . 0.0 109.02 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.88 -139.72 27.8 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -178.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -130.09 11.0 5.47 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.285 0.634 . . . . 0.0 110.244 176.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -138.97 10.21 2.6 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.395 0.678 . . . . 0.0 111.774 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.19 145.14 36.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.158 0 CA-C-N 118.841 0.746 . . . . 0.0 110.683 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.9 m -141.38 156.23 45.84 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.8 mm -135.31 148.79 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -139.21 155.55 47.72 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -178.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.418 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 tp -121.3 86.97 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 mt -63.8 -28.46 69.88 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.941 -0.475 . . . . 0.0 112.001 -171.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.457 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.39 -174.09 38.76 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-N 118.434 0.561 . . . . 0.0 113.119 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.92 163.95 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 121.1 0.476 . . . . 0.0 111.396 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.1 t -151.42 89.65 1.51 Allowed 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 123.954 0.902 . . . . 0.0 108.886 175.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.33 -102.57 1.38 Allowed Glycine 0 CA--C 1.528 0.847 0 N-CA-C 109.744 -1.343 . . . . 0.0 109.744 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -106.33 -17.0 14.42 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 117.305 0.552 . . . . 0.0 109.629 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.459 HE21 ' HA ' ' A' ' 29' ' ' GLN . 0.8 OUTLIER -70.34 147.7 49.3 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.6 t -136.61 119.73 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.17 118.32 26.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -125.83 151.24 31.79 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.14 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -171.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.61 155.78 19.09 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.6 mt -142.04 143.26 26.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -176.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -140.33 107.36 5.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.83 156.35 41.08 Favored Pre-proline 0 N--CA 1.451 -0.394 0 C-N-CA 123.545 0.738 . . . . 0.0 110.135 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.27 159.1 48.83 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 123.652 2.902 . . . . 0.0 111.324 175.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -73.25 -0.75 15.32 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.696 0.284 . . . . 0.0 110.475 174.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -71.16 -6.33 38.6 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.889 0.876 . . . . 0.0 110.717 172.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m -138.95 168.25 19.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 C-N-CA 123.864 0.865 . . . . 0.0 109.087 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.61 158.66 18.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.823 0.344 . . . . 0.0 111.061 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.401 HG13 HD12 ' C' ' 2' ' ' LEU . 0.8 OUTLIER -158.43 131.88 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 174.762 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -153.6 170.78 19.99 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -65.47 152.09 44.8 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 171.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -64.75 -10.32 26.69 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.616 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -74.94 -48.01 26.67 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.079 0.551 . . . . 0.0 109.852 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.27 -29.7 28.78 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 C-N-CA 123.153 0.581 . . . . 0.0 110.36 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.4 t80 . . . . . 0 N--CA 1.451 -0.412 0 O-C-N 122.203 -0.311 . . . . 0.0 111.443 -178.721 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpt . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 119.579 -0.248 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.401 HD12 HG13 ' A' ' 42' ' ' VAL . 5.8 mt -140.38 152.88 46.11 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.167 0.439 . . . . 0.0 110.16 176.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -136.79 148.12 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -146.2 165.64 28.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.818 0.847 . . . . 0.0 110.148 -175.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -135.15 96.37 3.48 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 121.235 0.541 . . . . 0.0 109.595 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.08 -178.84 3.87 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 124.231 1.013 . . . . 0.0 108.876 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -133.28 173.35 11.55 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 172.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.438 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 9.4 m -60.89 132.9 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-O 121.177 0.513 . . . . 0.0 111.25 -174.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.56 -8.97 62.31 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.947 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -87.5 178.56 6.77 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 118.014 0.907 . . . . 0.0 111.336 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.5 m -145.43 168.72 19.87 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.085 0.554 . . . . 0.0 111.901 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 34.9 mt -146.48 164.3 8.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 125.804 1.642 . . . . 0.0 107.042 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -133.94 153.75 51.55 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.319 0.963 . . . . 0.0 111.929 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 45.3 mt -142.07 141.42 28.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 177.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.36 -139.37 38.45 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -175.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -131.3 10.5 4.88 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.033 0.533 . . . . 0.0 109.705 175.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -138.28 9.57 2.73 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.31 0.644 . . . . 0.0 111.692 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.37 141.35 46.14 Favored 'Isoleucine or valine' 0 C--N 1.337 0.053 0 CA-C-N 118.633 0.651 . . . . 0.0 109.752 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -137.46 157.12 47.26 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -133.07 147.81 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -143.61 144.2 31.81 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.407 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.6 tp -106.06 100.63 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 177.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.71 -28.87 63.99 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 122.01 -0.431 . . . . 0.0 111.312 -174.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.438 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.77 -174.15 37.38 Favored Glycine 0 C--N 1.339 0.73 0 CA-C-N 118.286 0.494 . . . . 0.0 113.178 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.31 162.59 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-O 121.023 0.44 . . . . 0.0 111.694 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -150.91 89.26 1.52 Allowed 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.04 -102.49 1.24 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -107.55 -18.98 13.7 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 117.392 0.596 . . . . 0.0 109.821 175.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -69.72 147.9 49.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 176.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -138.34 116.44 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -80.17 115.87 19.97 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -123.6 151.21 28.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -175.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 154.54 19.32 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.2 mt -140.33 137.74 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -175.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -133.42 98.52 4.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -174.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.68 153.32 61.45 Favored Pre-proline 0 N--CA 1.452 -0.352 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.82 151.88 81.75 Favored 'Trans proline' 0 N--CA 1.444 -1.402 0 C-N-CA 122.473 2.115 . . . . 0.0 109.771 176.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -63.7 -8.48 10.4 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-O 121.461 0.648 . . . . 0.0 110.846 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.62 -8.99 16.38 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 125.483 1.513 . . . . 0.0 112.164 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -134.29 168.03 24.73 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.89 154.52 19.54 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.71 -0.396 . . . . 0.0 112.005 -174.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -160.36 130.58 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.16 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -157.07 171.87 19.69 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 124.336 1.054 . . . . 0.0 108.886 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -82.17 164.19 21.43 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 171.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -22.18 48.98 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -174.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -65.31 -43.23 91.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 119.034 0.834 . . . . 0.0 109.998 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.01 -28.79 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 57.9 t80 . . . . . 0 N--CA 1.451 -0.375 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.973 179.878 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mt -140.13 156.3 46.61 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 174.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -132.54 147.54 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.4 HD13 HD12 ' A' ' 12' ' ' ILE . 95.7 mt -148.66 166.71 27.51 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.896 0.879 . . . . 0.0 110.479 -175.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -136.89 102.57 4.91 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.198 0.523 . . . . 0.0 109.836 171.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.456 ' HD2' HD11 ' A' ' 12' ' ' ILE . 6.8 mmp_? -105.15 163.61 12.45 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 124.412 1.085 . . . . 0.0 110.246 178.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HE3' ' HB2' ' C' ' 28' ' ' GLN . 59.1 mtpt -118.69 167.43 11.67 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.41 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 11.3 m -62.36 129.19 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.368 -173.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.32 0.38 50.57 Favored Glycine 0 CA--C 1.53 0.98 0 CA-C-O 119.255 -0.747 . . . . 0.0 112.659 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -105.3 177.59 4.81 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.452 1.126 . . . . 0.0 110.859 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -143.48 166.79 23.81 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -173.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.456 HD11 ' HD2' ' A' ' 6' ' ' ARG . 42.6 mm -143.19 167.25 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 126.955 2.102 . . . . 0.0 106.931 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -139.04 157.11 46.58 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.322 -0.861 . . . . 0.0 112.536 -176.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.9 mt -141.24 148.04 21.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 124.176 0.99 . . . . 0.0 108.873 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.77 -140.28 30.58 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -128.58 10.35 6.11 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.526 0.73 . . . . 0.0 110.029 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -142.28 11.4 1.94 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.083 0.553 . . . . 0.0 111.516 -178.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.76 146.47 34.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 119.05 0.841 . . . . 0.0 110.789 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.8 m -140.82 157.51 45.28 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -135.52 146.44 29.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.7 m -142.57 146.51 34.67 Favored 'General case' 0 C--O 1.227 -0.112 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.75 95.11 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 178.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.11 -26.28 66.62 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.64 0.376 . . . . 0.0 111.975 -173.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.41 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 156.43 -172.31 34.19 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 118.112 0.415 . . . . 0.0 112.55 176.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 m -134.77 162.54 38.52 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 117.303 0.551 . . . . 0.0 111.524 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -150.37 89.55 1.58 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.289 1.035 . . . . 0.0 108.742 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.77 -102.64 1.33 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -107.42 -18.27 13.9 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 117.41 0.605 . . . . 0.0 109.796 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -68.11 147.74 51.9 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 175.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -136.24 116.41 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -86.17 127.15 34.67 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -132.22 155.01 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -170.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.15 154.45 20.57 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.5 mt -140.41 135.17 35.6 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -131.99 98.29 4.4 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.216 0.531 . . . . 0.0 109.942 -173.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.46 153.25 55.15 Favored Pre-proline 0 N--CA 1.447 -0.604 0 C-N-CA 124.398 1.079 . . . . 0.0 108.133 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.23 152.89 73.54 Favored 'Trans proline' 0 N--CA 1.443 -1.463 0 C-N-CA 122.076 1.85 . . . . 0.0 109.452 176.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -2.99 2.67 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 121.821 0.82 . . . . 0.0 110.568 175.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.39 -12.55 31.47 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 126.284 1.833 . . . . 0.0 111.897 173.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 m -132.86 166.77 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.759 0.824 . . . . 0.0 108.808 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.68 152.19 20.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.886 0.374 . . . . 0.0 111.043 -177.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -159.83 130.26 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 122.905 0.482 . . . . 0.0 109.809 173.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -155.87 172.11 18.92 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.84 0.856 . . . . 0.0 109.395 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -79.02 166.37 22.41 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 170.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -20.89 60.24 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -176.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -68.25 -48.44 65.09 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 118.477 0.581 . . . . 0.0 109.875 -178.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.14 -28.56 20.82 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -177.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.3 t80 . . . . . 0 N--CA 1.451 -0.421 0 O-C-N 122.359 -0.213 . . . . 0.0 111.065 -179.2 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' C' ' 2' ' ' LEU . 4.6 mt -140.26 152.92 46.31 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.402 HD12 ' C ' ' C' ' 2' ' ' LEU . 4.0 mp -128.88 140.07 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -132.61 163.37 29.05 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.261 1.424 . . . . 0.0 109.098 -173.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.88 110.34 7.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 169.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -125.41 151.02 46.72 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 124.402 1.081 . . . . 0.0 109.297 -172.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -114.0 168.8 9.5 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 119.385 0.993 . . . . 0.0 111.417 176.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.459 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 9.1 m -57.29 132.48 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.011 -172.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.22 1.1 61.15 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.428 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -110.32 -178.73 3.58 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 117.767 0.783 . . . . 0.0 110.223 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 43.8 m -143.28 168.7 19.17 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -170.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 58.7 mt -142.28 164.6 17.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 125.899 1.68 . . . . 0.0 106.61 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -140.67 153.73 46.1 Favored 'General case' 0 C--O 1.23 0.05 0 O-C-N 121.064 -1.023 . . . . 0.0 112.335 -173.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mt -141.26 150.46 19.98 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 C-N-CA 123.692 0.797 . . . . 0.0 109.096 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.03 -139.56 33.03 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -129.73 10.57 5.58 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.284 0.633 . . . . 0.0 109.738 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -143.2 11.34 1.75 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.435 0.694 . . . . 0.0 111.426 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.3 143.7 40.38 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 CA-C-N 118.929 0.786 . . . . 0.0 110.922 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -140.87 157.59 45.16 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -133.46 146.18 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.2 m -138.56 143.78 39.58 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.403 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.0 OUTLIER -105.46 91.36 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.783 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.63 -31.73 72.63 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.853 -173.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.459 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 162.19 -173.15 38.46 Favored Glycine 0 C--N 1.337 0.602 0 O-C-N 122.124 -0.36 . . . . 0.0 112.335 178.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -134.45 163.29 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-O 121.054 0.454 . . . . 0.0 110.998 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -150.93 89.57 1.54 Allowed 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 176.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.47 -102.5 1.29 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . 0.46 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 23.6 mm100 -105.62 -18.31 14.12 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 117.022 0.411 . . . . 0.0 110.179 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -71.17 147.08 48.68 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 96.5 t -135.7 114.36 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 ttt-85 -88.11 126.44 35.12 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -130.12 155.23 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 -169.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.09 156.23 20.66 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 76.9 mt -140.21 134.71 36.09 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -131.97 98.67 4.5 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.191 0.52 . . . . 0.0 109.597 -173.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.42 153.28 55.34 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.214 176.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -62.97 152.33 79.87 Favored 'Trans proline' 0 N--CA 1.442 -1.508 0 C-N-CA 122.269 1.979 . . . . 0.0 108.908 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -3.28 2.75 Favored 'General case' 0 N--CA 1.46 0.047 0 CA-C-O 121.681 0.753 . . . . 0.0 110.619 175.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.09 -11.55 30.94 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 126.092 1.757 . . . . 0.0 112.332 173.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 m -133.37 167.92 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.086 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.28 152.38 20.75 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 122.313 -0.242 . . . . 0.0 111.428 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -159.65 127.03 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.23 0.039 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -154.08 171.52 18.97 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.651 0.381 . . . . 0.0 110.446 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.436 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 79.3 ttt180 -67.89 154.58 41.27 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 174.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -59.32 -21.09 59.21 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.934 0.397 . . . . 0.0 110.686 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 20.6 tp10 -68.64 -48.5 63.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.296 0.638 . . . . 0.0 110.608 177.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -77.24 -25.86 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-O 120.856 0.36 . . . . 0.0 110.391 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.1 t80 . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 123.541 0.737 . . . . 0.0 112.005 -178.359 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.63 156.43 46.94 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -131.92 148.37 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.1 mt -142.67 165.22 27.99 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.682 0.793 . . . . 0.0 109.947 -176.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.52 95.92 2.95 Favored 'General case' 0 C--N 1.337 0.051 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 173.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -104.62 178.24 4.62 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.321 1.049 . . . . 0.0 109.038 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HE2' ' OE1' ' C' ' 29' ' ' GLN . 18.5 ptpt -133.15 172.97 11.94 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 118.476 0.58 . . . . 0.0 110.368 171.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.458 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.7 m -58.66 132.93 23.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -171.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.51 -9.0 58.77 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.576 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -92.77 179.03 5.6 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.226 1.013 . . . . 0.0 111.23 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.8 m -142.88 168.03 20.66 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.133 0.492 . . . . 0.0 112.018 -174.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mt -145.34 167.32 9.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 125.699 1.6 . . . . 0.0 107.241 -177.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -140.89 154.78 46.29 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 121.441 -0.787 . . . . 0.0 112.663 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.9 mt -140.67 150.4 20.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 124.261 1.024 . . . . 0.0 108.914 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.3 -140.47 36.13 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -129.08 10.51 5.87 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.388 0.675 . . . . 0.0 109.572 177.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -143.92 11.95 1.62 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.553 0.741 . . . . 0.0 111.98 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -127.99 146.29 33.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 CA-C-N 119.19 0.905 . . . . 0.0 110.6 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 42.9 m -138.37 154.75 48.94 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.977 0.911 . . . . 0.0 108.588 177.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -135.19 147.76 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.2 m -141.22 147.15 37.85 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -105.17 94.54 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.57 -27.37 67.67 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.877 -172.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.458 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.56 -171.72 35.36 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.8 m -127.36 162.56 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 CA-C-O 120.957 0.408 . . . . 0.0 110.933 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.5 t -150.43 75.91 1.24 Allowed 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 177.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.17 -138.85 33.24 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.242 -1.543 . . . . 0.0 109.242 -173.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -68.56 -12.12 60.86 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 117.384 0.592 . . . . 0.0 111.787 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.597 ' CG ' HG22 ' C' ' 5' ' ' THR . 1.2 tp-100 -83.65 152.57 24.7 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.6 t -137.34 129.5 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -93.22 126.55 38.39 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mt -134.23 155.14 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -169.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.14 156.78 21.95 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.9 mt -140.38 142.6 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -140.35 106.44 5.21 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.59 157.74 41.03 Favored Pre-proline 0 C--O 1.233 0.213 0 C-N-CA 123.613 0.765 . . . . 0.0 109.51 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -64.32 158.68 47.53 Favored 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 122.96 2.44 . . . . 0.0 110.638 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -69.31 -0.86 6.85 Favored 'General case' 0 CA--C 1.527 0.072 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 173.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.6 -10.32 55.18 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 125.065 1.346 . . . . 0.0 111.271 174.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 m -137.23 168.07 22.04 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 C-N-CA 123.318 0.647 . . . . 0.0 109.646 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.89 155.41 19.37 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.578 0.227 . . . . 0.0 110.882 -177.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -157.11 126.27 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -153.06 171.88 17.72 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 122.699 0.4 . . . . 0.0 110.158 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.9 mtp-105 -72.11 160.81 31.83 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -61.5 -20.81 63.61 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -73.84 -48.53 30.52 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 122.938 0.495 . . . . 0.0 111.0 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.17 -25.46 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 N--CA 1.448 -0.547 0 O-C-N 122.032 -0.417 . . . . 0.0 111.068 -178.851 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mt -135.06 153.22 52.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.411 ' C ' HD22 ' C' ' 4' ' ' LEU . 4.3 mp -132.94 139.26 49.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.411 HD22 ' C ' ' C' ' 3' ' ' ILE . 4.6 mm? -132.65 163.54 28.72 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.837 1.255 . . . . 0.0 109.498 -174.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.597 HG22 ' CG ' ' A' ' 29' ' ' GLN . 0.7 OUTLIER -137.12 96.7 3.33 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 172.14 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -109.4 139.04 44.86 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 125.196 1.398 . . . . 0.0 110.598 -171.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -84.61 158.97 20.71 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 110.436 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.406 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 23.9 m -61.22 138.62 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.089 0.471 . . . . 0.0 110.072 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.38 1.24 75.3 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.623 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -106.88 179.15 4.35 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.103 0.952 . . . . 0.0 110.195 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -140.53 168.09 20.63 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -171.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 64.6 mt -143.75 164.64 14.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 126.293 1.837 . . . . 0.0 106.797 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -136.85 154.16 50.58 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 121.378 -0.826 . . . . 0.0 112.357 -175.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.5 mt -139.8 149.88 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.88 -140.06 35.32 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -129.23 10.48 5.8 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 123.677 0.791 . . . . 0.0 109.719 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -145.12 12.83 1.41 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.564 0.746 . . . . 0.0 111.862 -175.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.59 145.83 34.94 Favored 'Isoleucine or valine' 0 C--N 1.342 0.28 0 CA-C-N 118.7 0.682 . . . . 0.0 110.439 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 58.6 m -140.62 154.45 46.45 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.601 0.76 . . . . 0.0 109.025 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.4 mm -134.07 141.58 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 52.3 m -140.3 121.4 14.73 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.406 HG22 ' H ' ' C' ' 22' ' ' ILE . 1.4 tp -76.56 101.78 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 176.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 22.9 mt -70.79 -27.26 63.78 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 122.119 -0.363 . . . . 0.0 111.837 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.406 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 155.89 -170.89 33.75 Favored Glycine 0 C--N 1.338 0.675 0 CA-C-N 118.274 0.488 . . . . 0.0 112.814 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.02 160.72 41.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 121.304 0.573 . . . . 0.0 111.084 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -150.4 89.38 1.57 Allowed 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.96 -102.84 1.6 Allowed Glycine 0 C--N 1.337 0.585 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -106.63 -16.62 14.46 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 174.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.429 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 2.8 mp0 -67.65 152.5 45.52 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -140.54 110.25 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 N-CA-C 105.147 -2.168 . . . . 0.0 105.147 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -84.86 132.62 34.37 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -135.47 154.12 34.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -170.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.72 152.16 19.22 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.3 mt -140.14 145.53 26.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -140.66 107.14 5.29 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.85 155.76 44.39 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 123.265 0.626 . . . . 0.0 110.477 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.95 157.22 53.94 Favored 'Trans proline' 0 N--CA 1.45 -1.088 0 C-N-CA 123.586 2.857 . . . . 0.0 111.236 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -71.81 -1.44 14.12 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 120.917 0.389 . . . . 0.0 110.615 176.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -71.18 -7.32 45.95 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.269 1.028 . . . . 0.0 110.524 172.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.19 169.6 17.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 124.048 0.939 . . . . 0.0 109.112 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.95 159.5 19.03 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 122.258 -0.276 . . . . 0.0 111.038 -176.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 p -156.41 122.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 123.468 0.707 . . . . 0.0 109.275 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -153.32 176.74 11.64 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 122.803 0.441 . . . . 0.0 110.073 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 161.23 29.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 175.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -60.35 -24.32 64.97 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 120.712 0.291 . . . . 0.0 110.862 -177.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -67.99 -48.01 66.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.159 0.584 . . . . 0.0 110.919 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm -77.45 -24.49 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 CA-C-O 120.668 0.27 . . . . 0.0 110.918 -173.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 81.8 t80 . . . . . 0 N--CA 1.451 -0.401 0 C-N-CA 122.994 0.517 . . . . 0.0 111.696 -178.796 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 tpt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 2' ' ' LEU . 5.4 mt -140.26 155.52 46.84 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 173.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -134.62 135.26 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -133.25 162.2 32.43 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.374 1.07 . . . . 0.0 109.803 -170.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -135.66 127.08 28.57 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 169.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.93 178.74 6.55 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 125.304 1.442 . . . . 0.0 107.701 177.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -134.89 173.28 11.88 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 118.08 0.4 . . . . 0.0 109.985 170.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.458 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 6.3 m -58.73 124.84 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.215 -172.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.89 1.05 42.3 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.687 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -109.43 -179.26 3.78 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.133 0.966 . . . . 0.0 110.81 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.6 m -145.93 168.16 21.54 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -173.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.7 mt -140.47 164.21 22.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.136 1.775 . . . . 0.0 106.947 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -138.5 154.2 48.8 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 121.394 -0.816 . . . . 0.0 111.908 -174.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -140.63 147.67 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.25 -139.11 34.74 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.319 -1.113 . . . . 0.0 110.319 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -129.56 10.49 5.65 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 123.388 0.675 . . . . 0.0 109.789 176.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -141.77 10.7 2.02 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.549 0.74 . . . . 0.0 111.937 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -128.27 145.26 35.64 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 CA-C-N 118.734 0.697 . . . . 0.0 110.201 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.4 m -141.41 155.32 45.9 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.013 0.925 . . . . 0.0 109.181 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -134.63 145.3 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 m -139.95 146.85 39.69 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.43 HG13 ' HA ' ' A' ' 8' ' ' VAL . 0.9 OUTLIER -105.89 94.37 3.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.093 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.47 -26.08 66.2 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -173.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.458 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.4 -174.32 36.28 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-N 118.387 0.539 . . . . 0.0 112.714 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -138.64 163.77 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 117.37 0.585 . . . . 0.0 111.456 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -151.09 89.69 1.54 Allowed 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.831 0.852 . . . . 0.0 109.014 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.51 -102.48 1.39 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -106.44 -16.53 14.52 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 117.349 0.574 . . . . 0.0 109.841 175.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -68.77 147.09 52.29 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.4 t -138.9 114.33 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -84.16 126.62 33.29 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -132.62 154.97 40.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -171.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.17 154.87 20.76 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 177.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.7 mt -140.16 143.05 30.46 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -140.54 106.49 5.18 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -175.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.26 157.14 42.82 Favored Pre-proline 0 N--CA 1.45 -0.432 0 O-C-N 123.841 0.713 . . . . 0.0 110.16 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.15 159.44 46.83 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 123.561 2.841 . . . . 0.0 111.256 175.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 9.4 mmmm -74.24 -1.02 18.79 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 122.183 -0.323 . . . . 0.0 110.865 175.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.39 -7.48 43.32 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.013 0.925 . . . . 0.0 110.595 172.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.13 168.41 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.23 1.012 . . . . 0.0 108.522 178.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.67 160.64 19.11 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.615 0.245 . . . . 0.0 110.988 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.64 129.84 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -154.52 173.97 15.56 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.073 0.549 . . . . 0.0 109.743 177.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.9 mtm105 -74.32 162.45 28.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 173.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -59.97 -28.18 67.45 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.317 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -65.37 -38.93 91.53 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.035 0.534 . . . . 0.0 111.432 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.6 mm -91.72 -27.43 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 122.365 0.266 . . . . 0.0 110.774 -172.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.2 t80 . . . . . 0 N--CA 1.456 -0.167 0 C-N-CA 122.966 0.506 . . . . 0.0 111.002 -179.901 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mt -137.47 156.12 48.52 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -133.98 148.32 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -146.2 165.84 27.98 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.05 0.94 . . . . 0.0 109.926 -177.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.48 96.86 3.67 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 171.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.34 162.18 13.91 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 124.877 1.271 . . . . 0.0 109.72 -176.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -121.62 168.2 12.04 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.72 1.145 . . . . 0.0 111.72 174.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.467 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.7 m -57.29 132.39 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.819 -172.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.34 1.15 60.93 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.578 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -108.69 179.78 4.09 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 117.634 0.717 . . . . 0.0 110.202 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 39.6 m -141.98 168.24 20.23 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -170.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.4 mt -144.67 166.6 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 126.001 1.72 . . . . 0.0 106.507 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -140.47 155.69 46.6 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 119.011 0.823 . . . . 0.0 112.168 -177.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 46.2 mt -142.22 153.79 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 124.084 0.953 . . . . 0.0 108.895 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.98 -141.33 33.31 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -128.57 10.44 6.13 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.644 0.778 . . . . 0.0 109.398 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -146.52 13.01 1.19 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.659 0.783 . . . . 0.0 111.763 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.05 147.17 32.71 Favored 'Isoleucine or valine' 0 C--N 1.34 0.196 0 CA-C-N 118.946 0.794 . . . . 0.0 110.696 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 57.6 m -139.94 154.3 47.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -134.01 146.79 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.1 m -139.71 146.95 40.23 Favored 'General case' 0 C--O 1.228 -0.039 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.405 HG13 ' HA ' ' C' ' 8' ' ' VAL . 0.8 OUTLIER -106.78 93.69 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.4 mt -66.38 -30.17 70.5 Favored 'General case' 0 C--N 1.341 0.22 0 O-C-N 122.067 -0.395 . . . . 0.0 111.913 -171.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 161.17 -174.89 37.82 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.798 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -137.68 161.96 32.79 Favored 'Isoleucine or valine' 0 C--N 1.338 0.106 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 45.8 t -153.7 113.99 3.96 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 172.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.13 -104.87 1.19 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -177.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -114.76 -13.29 12.05 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 117.096 0.448 . . . . 0.0 110.116 174.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -70.55 149.45 47.11 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -135.06 114.77 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -83.12 126.18 32.31 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -129.74 155.23 41.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 -173.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.62 153.03 19.77 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.8 mt -140.88 143.32 28.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -175.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -140.16 106.92 5.37 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.04 156.78 43.75 Favored Pre-proline 0 C--O 1.233 0.234 0 C-N-CA 123.533 0.733 . . . . 0.0 109.738 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.78 159.37 45.91 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 123.082 2.521 . . . . 0.0 111.038 176.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -73.01 -0.92 15.19 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-O 120.849 0.356 . . . . 0.0 110.663 175.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -72.52 -5.98 40.72 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.288 1.035 . . . . 0.0 110.671 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -138.48 168.45 19.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 123.671 0.788 . . . . 0.0 109.395 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.49 157.35 19.7 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.729 0.3 . . . . 0.0 111.362 -176.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -156.03 130.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.081 0 C-N-CA 122.742 0.417 . . . . 0.0 109.911 175.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -155.46 170.02 22.9 Favored 'General case' 0 C--N 1.338 0.067 0 C-N-CA 123.603 0.761 . . . . 0.0 109.185 176.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 ptt85 -82.44 164.17 21.15 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 175.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -55.36 -27.0 44.45 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -173.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.75 -38.95 80.47 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 122.117 -0.364 . . . . 0.0 111.856 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 22.4 mm -90.76 -28.87 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 110.67 -0.122 . . . . 0.0 110.67 -172.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 82.0 t80 . . . . . 0 N--CA 1.454 -0.274 0 C-N-CA 122.964 0.506 . . . . 0.0 111.643 -178.538 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 2' ' ' LEU . 5.3 mt -132.03 153.18 50.66 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.4 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.6 mp -135.98 137.59 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.556 HD13 ' C2 ' ' B' ' 38' ' ' ' A' . 4.5 mm? -130.18 159.09 37.89 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.256 1.422 . . . . 0.0 108.054 -178.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -139.02 96.35 3.1 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 172.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.26 162.55 28.72 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.101 0.961 . . . . 0.0 109.583 -176.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -112.16 176.04 5.18 Favored 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -169.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.464 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.3 m -57.87 133.11 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 120.979 0.418 . . . . 0.0 111.135 -174.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.97 -16.72 59.11 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.675 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -73.48 171.27 13.47 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 117.886 0.843 . . . . 0.0 111.293 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -142.27 158.11 44.09 Favored 'General case' 0 CA--C 1.526 0.047 0 C-N-CA 122.585 0.354 . . . . 0.0 110.814 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mm -141.78 165.15 18.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 125.606 1.562 . . . . 0.0 106.846 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -139.27 155.3 47.85 Favored 'General case' 0 C--O 1.233 0.192 0 O-C-N 121.611 -0.68 . . . . 0.0 112.495 -174.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mt -139.93 149.92 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 123.998 0.919 . . . . 0.0 108.852 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.84 -142.07 35.22 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -127.87 10.63 6.53 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.767 0.827 . . . . 0.0 109.476 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -143.66 12.06 1.68 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.174 0.589 . . . . 0.0 111.958 -176.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -127.97 146.27 33.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 CA-C-N 119.174 0.897 . . . . 0.0 110.803 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.9 m -139.76 154.13 47.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.798 0.839 . . . . 0.0 108.865 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mm -134.72 144.99 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.8 m -140.16 147.89 40.81 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.409 HG13 ' HA ' ' A' ' 8' ' ' VAL . 2.3 tp -105.38 99.24 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.52 -27.8 65.48 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.221 -173.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.464 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 157.55 -173.52 34.96 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-N 117.969 0.349 . . . . 0.0 113.153 174.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.3 m -134.69 163.3 37.03 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 C-N-CA 122.662 0.385 . . . . 0.0 111.363 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -150.17 89.69 1.61 Allowed 'General case' 0 C--O 1.232 0.173 0 C-N-CA 124.23 1.012 . . . . 0.0 109.16 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.03 -90.28 0.79 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -114.63 -16.85 11.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 173.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -71.45 152.48 43.04 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -143.08 107.94 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -87.33 130.74 34.51 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -131.57 155.72 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.597 -169.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.49 154.72 20.15 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -139.56 145.48 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -176.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -140.26 107.12 5.39 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.32 157.91 38.84 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 123.77 0.828 . . . . 0.0 109.646 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.94 158.18 52.81 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 123.228 2.618 . . . . 0.0 110.844 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -71.82 -2.43 17.68 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.13 0.491 . . . . 0.0 110.549 176.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -72.4 -6.03 40.62 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.202 1.001 . . . . 0.0 111.143 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.6 167.96 20.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 C-N-CA 123.673 0.789 . . . . 0.0 109.176 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.43 157.25 20.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.362 0.125 . . . . 0.0 111.307 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.433 HG13 HD12 ' C' ' 2' ' ' LEU . 0.7 OUTLIER -156.05 125.51 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.283 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -157.51 170.32 22.7 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 124.061 0.945 . . . . 0.0 109.026 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -78.73 165.29 23.77 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 175.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -58.67 -25.82 63.18 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -172.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -65.01 -45.59 84.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.838 0.351 . . . . 0.0 111.075 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.0 mm -81.8 -24.09 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 120.797 0.332 . . . . 0.0 110.495 -173.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.526 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 84.0 t80 -60.77 -25.61 66.64 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.165 0.586 . . . . 0.0 111.914 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -75.07 -21.78 58.75 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.498 0.319 . . . . 0.0 111.845 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -76.79 -16.6 59.41 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 123.081 0.552 . . . . 0.0 109.884 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.41 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 95.4 mt -99.43 -50.83 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 O-C-N 123.448 0.467 . . . . 0.0 110.127 -173.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.526 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 86.9 mm-40 -66.34 1.7 1.51 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.01 -14.75 63.21 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.886 0.474 . . . . 0.0 111.628 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.08 11.36 0.03 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 115.002 0.761 . . . . 0.0 115.002 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.41 ' CD1' ' HA ' ' A' ' 51' ' ' ILE . 1.8 pp -156.46 -177.6 6.71 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.396 1.098 . . . . 0.0 111.396 -173.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 m -146.54 3.11 0.86 Allowed 'General case' 0 N--CA 1.462 0.166 0 O-C-N 122.312 -0.243 . . . . 0.0 111.507 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.81 123.24 5.22 Favored Pre-proline 0 N--CA 1.452 -0.33 0 O-C-N 121.709 -0.619 . . . . 0.0 110.247 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -51.51 172.42 0.12 Allowed 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 124.437 3.425 . . . . 0.0 113.777 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 CA--C 1.531 0.228 0 C-N-CA 124.886 1.275 . . . . 0.0 113.128 -178.214 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 O4'-C1'-N19 110.869 2.669 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . 0.474 " O4'" ' C8 ' ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 C3'-C2'-C1' 103.328 2.031 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ' A' . . . . . 0.556 ' C2 ' HD13 ' A' ' 4' ' ' LEU . . . . . . . . 0 O4'--C4' 1.425 -2.312 2 C5'-C4'-C3' 109.107 -4.262 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.425 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 C3'-C2'-C1' 103.896 2.663 . 0.094 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 1 O4'-C1'-N19 113.087 4.887 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.344 0 C5'-C4'-C3' 109.573 -3.951 . 0.069 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 O4'-C1'-N19 112.032 3.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.977 0 O4'-C1'-N19 110.477 2.277 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C5'-C4'-C3' 110.849 -3.1 . 0.417 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.44 ' C ' HD12 ' C' ' 3' ' ' ILE . 2.4 mt -140.08 149.12 42.7 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.44 HD12 ' C ' ' C' ' 2' ' ' LEU . 4.9 mp -138.29 138.2 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 176.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.76 166.16 26.95 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m -121.73 147.59 45.72 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 121.129 0.49 . . . . 0.0 109.968 -173.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.408 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 3.7 tpm_? -142.55 173.79 11.22 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 124.773 1.229 . . . . 0.0 107.829 -172.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -138.22 170.92 15.19 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 119.707 1.14 . . . . 0.0 110.238 169.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.462 ' HA ' HG13 ' C' ' 22' ' ' ILE . 7.9 m -57.87 132.8 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 120.991 0.424 . . . . 0.0 111.937 -172.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.8 -2.06 58.33 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.597 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -106.76 -178.63 3.7 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 117.991 0.896 . . . . 0.0 110.582 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 46.1 m -142.81 168.27 20.11 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -173.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -141.7 164.15 19.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 126.438 1.895 . . . . 0.0 106.724 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -138.94 154.95 48.37 Favored 'General case' 0 C--O 1.231 0.091 0 O-C-N 121.533 -0.729 . . . . 0.0 112.126 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.1 mt -140.51 145.02 26.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.32 -140.78 35.65 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -130.2 11.11 5.43 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.582 0.753 . . . . 0.0 110.142 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -138.28 10.67 2.77 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.789 0.836 . . . . 0.0 112.007 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -129.28 145.79 35.22 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 119.139 0.881 . . . . 0.0 110.69 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 52.5 m -140.78 155.43 46.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.677 0.791 . . . . 0.0 109.017 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -134.28 142.82 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -139.96 125.38 19.04 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.741 0.305 . . . . 0.0 110.329 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.462 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.5 tp -82.92 98.14 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 177.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.36 -27.57 64.44 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.708 -172.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.437 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 156.86 -173.26 34.53 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 112.011 -0.435 . . . . 0.0 112.011 177.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -129.63 161.13 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.075 0 CA-C-N 117.181 0.491 . . . . 0.0 111.434 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -150.46 89.96 1.61 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.73 -139.19 34.54 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 108.51 -1.836 . . . . 0.0 108.51 -173.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -72.81 -18.4 61.47 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 117.789 0.795 . . . . 0.0 110.173 176.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.61 149.44 47.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.8 t -137.33 117.62 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -177.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -87.08 125.72 34.31 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -134.17 154.53 37.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -173.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.48 159.07 19.99 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.4 mt -140.57 143.11 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -140.27 106.69 5.29 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.38 156.93 42.62 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 123.477 0.711 . . . . 0.0 109.692 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.57 158.28 50.75 Favored 'Trans proline' 0 N--CA 1.449 -1.13 0 C-N-CA 123.197 2.598 . . . . 0.0 111.261 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -71.52 -2.19 15.99 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.708 0.29 . . . . 0.0 110.813 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -70.36 -7.04 39.76 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.219 1.008 . . . . 0.0 111.027 173.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 m -137.83 168.2 20.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 123.836 0.854 . . . . 0.0 108.992 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.64 158.26 19.48 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.8 0.333 . . . . 0.0 111.26 -175.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.5 127.46 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.058 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -155.27 174.25 15.48 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.092 0.557 . . . . 0.0 110.349 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -73.68 157.47 36.51 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 175.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -57.76 -24.05 55.18 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.292 -0.255 . . . . 0.0 110.764 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.33 -48.77 63.98 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.705 0.402 . . . . 0.0 110.984 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 15.4 mm -75.76 -25.15 17.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.299 -174.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.488 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 81.9 t80 -62.59 -30.79 71.59 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.812 0.445 . . . . 0.0 111.516 -178.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -72.63 -21.34 61.12 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 122.569 0.348 . . . . 0.0 111.379 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -77.17 -19.76 56.37 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 98.2 mt -99.47 -46.71 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.263 -172.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.488 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 75.0 mm-40 -70.02 3.08 2.94 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.972 -0.455 . . . . 0.0 111.846 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.2 -16.88 64.0 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.534 0.333 . . . . 0.0 111.065 174.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.73 18.86 0.07 OUTLIER Glycine 0 CA--C 1.528 0.874 0 CA-C-O 118.867 -0.963 . . . . 0.0 114.372 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -158.89 -176.63 5.98 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.078 1.439 . . . . 0.0 113.304 -170.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.5 p -145.15 6.48 1.14 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 124.623 1.169 . . . . 0.0 110.763 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.49 122.06 3.38 Favored Pre-proline 0 N--CA 1.452 -0.339 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -51.83 173.58 0.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 124.47 3.447 . . . . 0.0 114.392 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 CA--C 1.531 0.232 0 C-N-CA 123.844 0.857 . . . . 0.0 112.296 179.876 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 O4'-C1'-N19 111.805 3.605 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . 0.429 " H3'" ' C8 ' ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C5'-C4'-C3' 110.529 -3.314 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' ' A' . . . . . 0.429 ' C8 ' " H3'" ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 O4'-C1'-N19 111.719 3.519 . 0.224 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' ' G' . . . . . 0.408 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 C3'-C2'-C1' 103.773 2.525 . 0.098 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 1 O4'-C1'-N19 112.772 4.572 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.004 0 C5'-C4'-C3' 110.053 -3.631 . 0.141 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' ' C' . . . . . 0.433 " H4'" HD13 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.736 1 O4'-C1'-N19 112.295 4.095 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . 0.442 " H1'" ' C5 ' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.995 0 C4'-C3'-C2' 100.465 -2.235 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . 0.442 ' C5 ' " H1'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.877 0 O4'-C1'-N19 111.789 3.589 . 0.014 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 tpt . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.414 ' C ' HD12 ' A' ' 3' ' ' ILE . 5.3 mt -138.46 154.28 48.84 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 175.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.414 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.3 mp -137.57 146.56 27.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 177.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -147.34 166.13 28.05 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.628 0.771 . . . . 0.0 110.277 -175.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -132.75 99.41 4.61 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.454 0.645 . . . . 0.0 109.285 171.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -102.88 159.39 15.54 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 125.372 1.469 . . . . 0.0 108.529 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -122.43 170.62 9.78 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.67 1.123 . . . . 0.0 110.79 171.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.463 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 5.9 m -57.24 135.64 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.431 -172.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.7 1.79 70.53 Favored Glycine 0 CA--C 1.528 0.86 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.569 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -107.15 -179.98 4.09 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 117.907 0.853 . . . . 0.0 110.748 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -145.36 172.19 13.53 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.4 mt -150.94 158.9 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 126.973 2.109 . . . . 0.0 107.019 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -134.13 154.65 51.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.708 0.686 . . . . 0.0 111.239 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.3 mt -140.08 144.68 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.44 -139.63 30.38 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 109.916 -1.273 . . . . 0.0 109.916 -175.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -130.79 10.61 5.11 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.226 0.61 . . . . 0.0 109.428 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -138.21 10.63 2.79 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.354 0.661 . . . . 0.0 111.51 -178.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.67 145.08 36.1 Favored 'Isoleucine or valine' 0 C--N 1.343 0.297 0 CA-C-N 118.393 0.542 . . . . 0.0 110.257 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.9 m -140.23 156.38 46.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -137.11 145.11 30.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.0 m -142.98 146.14 33.64 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.433 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.3 tp -105.51 97.99 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.43 HD22 ' C2 ' ' D' ' 42' ' ' ' C' . 10.8 mt -66.88 -29.97 70.0 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -173.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.5 -173.35 36.26 Favored Glycine 0 CA--C 1.526 0.753 0 CA-C-N 118.158 0.435 . . . . 0.0 112.517 177.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -134.91 163.64 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 CA-C-O 121.236 0.541 . . . . 0.0 111.3 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.2 t -152.5 89.72 1.44 Allowed 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.72 -102.61 1.54 Allowed Glycine 0 C--N 1.337 0.607 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -106.73 -17.5 14.21 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -71.79 146.08 48.28 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.2 t -137.3 111.11 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 -176.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -84.27 123.86 30.6 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -127.01 155.16 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.121 -172.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.27 154.86 20.51 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.5 mt -141.09 144.45 26.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -175.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -140.56 109.1 5.89 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.87 156.8 40.99 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 123.456 0.702 . . . . 0.0 109.569 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.54 158.58 44.91 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 122.973 2.449 . . . . 0.0 111.13 176.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -70.25 -0.84 8.73 Favored 'General case' 0 CA--C 1.527 0.094 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 173.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -67.17 -11.64 57.87 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.416 1.486 . . . . 0.0 110.905 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 m -138.63 168.39 19.59 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 C-N-CA 123.632 0.773 . . . . 0.0 109.851 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.99 155.66 20.63 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.81 0.338 . . . . 0.0 110.842 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -156.11 129.03 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.086 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -156.84 174.79 14.97 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 123.915 0.886 . . . . 0.0 108.75 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -81.61 168.09 18.54 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 173.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -59.84 -23.19 63.19 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -70.07 -39.88 75.36 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 122.044 -0.41 . . . . 0.0 111.728 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -86.43 -26.21 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -174.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.457 ' HA ' HG12 ' A' ' 51' ' ' ILE . 75.6 t80 -58.31 -30.44 66.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 122.722 0.409 . . . . 0.0 111.068 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -68.29 -21.27 64.8 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.853 0.461 . . . . 0.0 111.321 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -85.8 -22.08 27.83 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.457 HG12 ' HA ' ' A' ' 48' ' ' TYR . 8.0 mm -72.57 -48.06 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 176.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -80.26 2.71 23.46 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.969 0.908 . . . . 0.0 111.605 -175.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.86 -16.97 63.91 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.94 24.25 0.11 Allowed Glycine 0 C--N 1.34 0.79 0 CA-C-O 119.045 -0.864 . . . . 0.0 113.857 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -151.14 23.19 0.74 Allowed 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 118.765 1.283 . . . . 0.0 114.376 -169.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.7 m -63.32 -7.56 6.62 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.062 0.846 . . . . 0.0 111.128 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -145.75 77.68 12.18 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 125.25 1.42 . . . . 0.0 107.868 176.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -50.01 174.13 0.05 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.419 1 C-N-CA 126.098 4.532 . . . . 0.0 115.744 -173.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t70 . . . . . 0 CA--C 1.534 0.351 0 C-N-CA 124.965 1.306 . . . . 0.0 112.938 -179.014 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 C5'-C4'-C3' 111.913 -2.391 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.778 0 O5'-C5'-C4' 113.426 2.305 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ' A' . . . . . 0.457 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.391 3.191 . 0.116 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.457 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C3'-C2'-C1' 103.683 2.426 . 0.052 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 1 O4'-C1'-N19 113.506 5.306 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C5'-C4'-C3' 110.54 -3.306 . 0.101 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ' C' . . . . . 0.602 " H3'" H5'' ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.776 1 O4'-C1'-N19 112.649 4.449 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . 0.602 H5'' " H3'" ' B' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.408 -3.774 0 C4'-C3'-C2' 99.075 -3.625 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . 0.502 ' C6 ' " O4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 O4'-C1'-N19 111.62 3.42 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.55 -0.262 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.7 mt -139.52 154.29 47.65 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 118.269 0.486 . . . . 0.0 109.916 175.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -136.92 145.88 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -146.47 168.3 21.52 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.083 0.953 . . . . 0.0 109.804 -176.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 9.8 m -134.71 101.18 4.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.418 0.627 . . . . 0.0 109.395 171.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -104.05 162.73 12.9 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 124.931 1.293 . . . . 0.0 108.468 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -127.15 168.35 14.78 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 119.359 0.981 . . . . 0.0 110.873 173.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.452 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.0 m -56.86 131.47 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.319 0.58 . . . . 0.0 112.1 -170.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.42 0.79 59.38 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.443 -0.798 . . . . 0.0 112.657 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -110.5 -179.6 3.81 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.972 0.886 . . . . 0.0 109.947 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 41.8 m -144.0 168.26 20.41 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -170.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -141.89 164.74 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 126.144 1.778 . . . . 0.0 107.108 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -140.05 154.3 47.04 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.898 0.772 . . . . 0.0 112.053 -176.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 46.5 mt -141.77 147.51 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.55 -141.42 35.31 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -130.13 10.43 5.38 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.536 0.735 . . . . 0.0 110.285 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -138.94 10.2 2.6 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.648 0.779 . . . . 0.0 111.949 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.27 145.4 35.43 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-N 119.057 0.844 . . . . 0.0 110.709 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -140.75 156.02 46.29 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -135.31 145.79 31.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.5 m -140.05 145.68 38.02 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.444 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.0 OUTLIER -105.75 94.48 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.46 HD22 ' C2 ' ' B' ' 42' ' ' ' C' . 11.5 mt -65.43 -28.8 69.49 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -173.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.452 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.03 -173.29 36.67 Favored Glycine 0 CA--C 1.524 0.651 0 CA-C-N 118.26 0.482 . . . . 0.0 112.775 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -137.47 163.67 30.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 117.018 0.409 . . . . 0.0 111.185 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.2 t -151.8 89.73 1.49 Allowed 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.993 0.917 . . . . 0.0 109.049 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.78 -102.53 1.42 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -177.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -106.09 -17.77 14.23 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 117.066 0.433 . . . . 0.0 109.903 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -69.26 147.05 51.76 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -139.23 111.98 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 -177.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 ttt-85 -85.77 127.34 34.51 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -131.37 155.04 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -170.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.77 154.58 19.77 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -140.55 142.21 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -139.72 106.12 5.3 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.2 157.93 42.04 Favored Pre-proline 0 N--CA 1.453 -0.295 0 C-N-CA 123.867 0.867 . . . . 0.0 109.395 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.81 158.95 48.11 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 123.252 2.634 . . . . 0.0 110.829 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' C' ' 38' ' ' LYS . 13.6 mmmm -70.08 -0.69 8.11 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 121.116 0.484 . . . . 0.0 110.41 172.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.98 -11.6 57.29 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.052 1.341 . . . . 0.0 110.888 173.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 m -137.34 168.55 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.752 0.821 . . . . 0.0 109.838 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.41 155.45 20.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 122.25 -0.281 . . . . 0.0 110.959 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -157.78 128.08 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 174.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -154.43 165.99 34.66 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.89 0.476 . . . . 0.0 109.953 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -63.22 151.49 40.25 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 172.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -64.28 -12.21 39.27 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.616 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.24 -43.87 66.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.421 0.688 . . . . 0.0 110.466 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 16.5 mm -83.1 -25.21 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 O-C-N 122.255 -0.278 . . . . 0.0 110.496 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.409 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 72.3 t80 -59.2 -28.14 66.37 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 122.174 -0.329 . . . . 0.0 110.885 178.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -77.23 -21.98 52.95 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.749 0.419 . . . . 0.0 111.354 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -81.79 -17.02 49.04 Favored 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 123.467 0.707 . . . . 0.0 109.796 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 91.5 mt -99.05 -47.33 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 O-C-N 123.17 0.294 . . . . 0.0 110.616 -173.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.409 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 80.1 mm-40 -68.61 2.97 2.06 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.92 -15.15 63.02 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 119.511 -0.281 . . . . 0.0 111.666 175.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.29 14.33 0.05 OUTLIER Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.122 -0.821 . . . . 0.0 114.656 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -156.97 -172.15 3.93 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.887 1.343 . . . . 0.0 112.111 -172.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 5.1 m -142.33 -1.2 1.2 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.609 0.364 . . . . 0.0 111.597 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.1 76.96 5.69 Favored Pre-proline 0 CA--C 1.532 0.26 0 O-C-N 121.733 -0.604 . . . . 0.0 110.831 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -47.34 -47.72 16.83 Favored 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 123.843 3.029 . . . . 0.0 113.31 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 N--CA 1.455 -0.204 0 C-N-CA 122.701 0.401 . . . . 0.0 109.92 -176.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 1 C5'-C4'-C3' 109.136 -4.243 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . 0.403 " H5'" ' N7 ' ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.832 1 C5'-C4'-C3' 107.929 -5.047 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' ' A' . . . . . 0.448 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.865 0 O4'-C1'-N19 111.072 2.872 . 0.185 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' ' G' . . . . . 0.448 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 P-O3'-C3' 122.743 2.536 . 0.105 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 O4'-C1'-N19 113.261 5.061 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C3'-C2'-C1' 104.335 3.15 . 0.145 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' ' C' . . . . . 0.598 " H3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.801 1 O4'-C1'-N19 112.584 4.384 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . 0.598 H5'' " H3'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.407 -3.835 0 C4'-C3'-C2' 98.739 -3.961 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . 0.528 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 O4'-C1'-N19 111.754 3.554 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.536 -0.172 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.401 ' C ' HD12 ' A' ' 3' ' ' ILE . 6.8 mt -100.75 152.08 20.91 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.852 0.358 . . . . 0.0 110.473 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.401 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.6 mp -137.09 133.44 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 172.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -161.08 165.55 29.48 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -125.69 147.07 49.47 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 121.066 0.46 . . . . 0.0 111.241 -171.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.81 173.6 11.33 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 125.839 1.656 . . . . 0.0 107.985 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -129.52 171.34 12.68 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.298 0.499 . . . . 0.0 109.883 168.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.466 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.2 m -56.52 133.6 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.768 -174.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.35 1.56 62.41 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.806 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -106.21 179.47 4.26 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.119 0.96 . . . . 0.0 111.542 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.7 m -144.57 168.35 20.35 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -171.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' C' ' 44' ' ' ARG . 32.9 mm -144.88 164.09 13.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 127.119 2.168 . . . . 0.0 107.292 -176.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -135.63 153.41 51.65 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.269 0.94 . . . . 0.0 112.086 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt -140.94 143.13 28.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 177.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.85 -138.75 44.17 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -176.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -130.65 10.32 5.14 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -141.79 11.06 2.03 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.267 0.627 . . . . 0.0 112.055 -175.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.25 141.07 47.26 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.139 0 CA-C-N 118.925 0.784 . . . . 0.0 109.703 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.7 m -136.58 154.85 50.57 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -134.2 146.39 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.1 m -142.58 145.74 33.88 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.412 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.2 tp -102.96 100.53 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.468 HD22 ' C2 ' ' D' ' 42' ' ' ' C' . 12.1 mt -68.87 -29.77 68.14 Favored 'General case' 0 CA--C 1.528 0.132 0 O-C-N 122.189 -0.32 . . . . 0.0 111.489 -174.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.466 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.26 -174.89 35.49 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-N 118.077 0.399 . . . . 0.0 112.584 176.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -138.71 163.71 27.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 O-C-N 122.411 -0.464 . . . . 0.0 111.044 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.7 t -154.26 115.22 4.03 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 172.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.08 -102.51 0.66 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -115.37 -13.94 11.64 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.954 0.377 . . . . 0.0 110.613 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -71.27 148.75 46.87 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.6 t -137.63 110.79 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -86.65 126.89 34.84 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -128.76 155.22 40.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -170.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.1 154.41 19.84 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 109.764 -1.335 . . . . 0.0 109.764 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.6 mt -140.59 143.06 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -139.52 105.82 5.27 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -176.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.4 157.25 42.22 Favored Pre-proline 0 N--CA 1.452 -0.353 0 C-N-CA 123.496 0.718 . . . . 0.0 109.644 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -64.71 158.72 48.93 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 123.211 2.607 . . . . 0.0 110.884 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 10.5 mmmm -70.76 -0.43 8.92 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 121.178 0.513 . . . . 0.0 110.055 172.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.68 -11.3 53.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.844 1.258 . . . . 0.0 110.698 173.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -138.56 168.63 19.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 123.895 0.878 . . . . 0.0 109.37 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.44 158.38 18.01 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -158.15 129.22 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -155.68 171.43 19.99 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 122.906 0.482 . . . . 0.0 110.015 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -70.05 158.48 35.62 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -61.46 -19.43 61.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.852 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -69.96 -47.86 60.63 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.101 0.56 . . . . 0.0 110.43 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -78.71 -25.65 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 120.697 0.284 . . . . 0.0 110.868 -173.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.468 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 86.5 t80 -62.27 -27.25 68.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 122.736 0.414 . . . . 0.0 111.497 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -74.1 -20.76 60.16 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.841 -0.537 . . . . 0.0 111.567 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -73.86 -17.91 60.99 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.9 mt -99.23 -41.51 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 C-N-CA 123.196 0.598 . . . . 0.0 109.697 -174.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.468 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 72.5 mm-40 -71.84 2.3 5.68 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 121.992 -0.442 . . . . 0.0 111.959 178.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.39 -13.87 62.6 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 123.116 0.567 . . . . 0.0 112.022 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.1 18.56 0.08 OUTLIER Glycine 0 C--N 1.343 0.921 0 CA-C-O 119.161 -0.799 . . . . 0.0 113.964 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 pp -158.28 -171.02 3.31 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.658 1.229 . . . . 0.0 112.023 -170.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 m -141.54 5.6 1.82 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.888 0.475 . . . . 0.0 110.443 176.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.87 78.26 7.45 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 123.104 0.562 . . . . 0.0 110.315 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -48.65 147.77 9.21 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 124.337 3.358 . . . . 0.0 114.119 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 125.332 1.453 . . . . 0.0 114.361 175.865 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 C5'-C4'-C3' 110.36 -3.427 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . 0.465 " H3'" ' C8 ' ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 C5'-C4'-C3' 109.726 -3.849 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ' A' . . . . . 0.465 ' C8 ' " H3'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 O4'-C1'-N19 111.978 3.778 . 0.116 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.414 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 P-O3'-C3' 122.425 2.27 . 0.078 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 1 O4'-C1'-N19 114.101 5.901 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.42 0 C5'-C4'-C3' 109.94 -3.706 . 0.1 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 O4'-C1'-N19 111.992 3.792 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . 0.423 " H1'" ' C5 ' ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.963 0 C4'-C3'-C2' 100.623 -2.077 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . 0.423 ' C5 ' " H1'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.822 1 O4'-C1'-N19 112.353 4.153 . 0.01 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.0 tpt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mt -138.7 150.8 46.57 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.827 0.451 . . . . 0.0 109.836 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -138.75 134.42 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.51 165.39 26.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -123.17 147.32 46.97 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.218 0.533 . . . . 0.0 111.512 -171.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.25 173.93 11.02 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 125.914 1.686 . . . . 0.0 108.022 -178.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -132.07 170.99 14.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.34 0.518 . . . . 0.0 110.369 168.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.467 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 7.4 m -56.34 128.38 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.771 -173.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.81 4.11 55.81 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.423 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -110.25 179.84 3.98 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.196 0.998 . . . . 0.0 111.113 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -145.63 168.0 21.73 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -172.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -142.29 165.42 17.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 127.064 2.146 . . . . 0.0 106.642 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -139.15 155.56 47.77 Favored 'General case' 0 CA--C 1.524 -0.052 0 O-C-N 121.385 -0.822 . . . . 0.0 112.154 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.0 mt -139.85 152.53 22.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.59 -139.24 35.76 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -130.39 10.43 5.26 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.707 0.803 . . . . 0.0 109.003 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -144.78 12.21 1.45 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.746 0.818 . . . . 0.0 111.871 -175.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -127.43 146.09 33.79 Favored 'Isoleucine or valine' 0 C--N 1.34 0.183 0 CA-C-N 119.018 0.826 . . . . 0.0 110.733 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -138.54 153.47 48.72 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.69 145.08 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -140.68 146.44 37.85 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.415 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.0 OUTLIER -105.04 94.82 3.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -66.66 -28.68 68.66 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.92 -173.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.42 -173.82 37.05 Favored Glycine 0 CA--C 1.525 0.66 0 CA-C-N 118.035 0.38 . . . . 0.0 113.015 176.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -135.86 163.56 34.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 C-N-CA 122.535 0.334 . . . . 0.0 111.023 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 46.9 t -151.01 89.96 1.57 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.79 -95.39 1.01 Allowed Glycine 0 C--N 1.337 0.59 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -114.35 -15.08 12.16 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 174.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -69.65 149.59 47.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 81.0 t -138.41 111.53 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -87.48 127.99 35.23 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.19 155.39 41.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -169.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.56 153.92 20.16 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.4 mt -140.84 143.35 28.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -175.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -140.24 106.56 5.27 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.18 157.63 42.46 Favored Pre-proline 0 N--CA 1.451 -0.393 0 C-N-CA 123.699 0.8 . . . . 0.0 109.349 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.65 158.04 52.36 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 122.984 2.456 . . . . 0.0 110.872 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -71.71 -3.65 23.05 Favored 'General case' 0 CA--C 1.526 0.038 0 O-C-N 122.115 -0.365 . . . . 0.0 110.506 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -69.57 -7.51 39.12 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.554 1.141 . . . . 0.0 110.989 174.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -136.4 168.67 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.153 0.981 . . . . 0.0 108.528 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.82 157.93 21.66 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.67 0.271 . . . . 0.0 110.959 -175.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -158.26 131.41 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -156.79 172.03 19.34 Favored 'General case' 0 C--N 1.339 0.118 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.458 ' HA ' HD13 ' A' ' 12' ' ' ILE . 73.0 mtm-85 -68.72 156.25 38.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -65.97 -8.42 22.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 110.44 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -79.24 -48.53 14.02 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.449 0.7 . . . . 0.0 109.73 174.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.42 -27.43 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.223 0.609 . . . . 0.0 109.804 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.486 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 77.0 t80 -60.33 -30.63 69.64 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 122.271 0.228 . . . . 0.0 111.399 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -74.87 -21.37 59.29 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 122.229 -0.294 . . . . 0.0 111.331 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -78.4 -17.67 56.09 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 123.084 0.553 . . . . 0.0 109.609 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -99.43 -46.63 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 C-N-CA 122.657 0.383 . . . . 0.0 110.674 -173.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.486 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 84.2 mm-40 -69.37 2.97 2.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 179.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.31 -16.31 64.19 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 122.895 0.478 . . . . 0.0 111.531 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.04 16.52 0.04 OUTLIER Glycine 0 CA--C 1.528 0.895 0 CA-C-O 119.217 -0.768 . . . . 0.0 113.822 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 pp -157.01 -169.88 3.1 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.476 1.138 . . . . 0.0 111.613 -172.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.1 m -136.93 -7.51 1.85 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.694 0.398 . . . . 0.0 110.787 178.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.64 116.22 2.47 Favored Pre-proline 0 N--CA 1.452 -0.363 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -47.85 -38.78 31.04 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.997 3.132 . . . . 0.0 113.486 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 N--CA 1.456 -0.161 0 O-C-N 123.251 0.344 . . . . 0.0 110.764 -176.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . 0.408 ' C6 ' H5'' ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 110.119 -3.588 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . 0.474 " H3'" ' C8 ' ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.927 1 C5'-C4'-C3' 108.547 -4.635 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' ' A' . . . . . 0.5 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.687 1 O4'-C1'-N19 112.923 4.723 . 0.099 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' ' G' . . . . . 0.5 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.303 0 C3'-C2'-C1' 103.844 2.604 . 0.056 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 1 O4'-C1'-N19 113.673 5.473 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 C5'-C4'-C3' 110.263 -3.491 . 0.11 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' ' C' . . . . . 0.584 " H3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.864 1 O4'-C1'-N19 112.403 4.203 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . 0.584 H5'' " H3'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.408 -3.755 0 C4'-C3'-C2' 99.096 -3.604 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . 0.523 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 111.737 3.537 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 tpt . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.406 HD12 HG13 ' C' ' 42' ' ' VAL . 5.4 mt -140.85 156.39 46.14 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 174.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.42 HG22 ' H62' ' B' ' 43' ' ' ' A' . 4.6 mp -136.88 145.23 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 176.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -144.6 166.8 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.954 0.901 . . . . 0.0 109.769 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.437 HG21 ' C4 ' ' B' ' 36' ' ' ' U' . 0.2 OUTLIER -134.19 97.86 3.96 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 172.458 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -104.56 162.2 13.46 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.272 1.429 . . . . 0.0 109.188 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -120.25 169.69 10.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.859 1.209 . . . . 0.0 111.419 172.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.452 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 8.8 m -58.9 134.61 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.433 -173.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.25 -3.86 60.15 Favored Glycine 0 CA--C 1.527 0.813 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.46 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -104.86 -178.98 3.81 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.152 0.976 . . . . 0.0 110.887 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.3 m -143.18 173.42 11.6 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -171.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.459 ' HA ' ' HA ' ' C' ' 44' ' ' ARG . 37.4 mt -153.38 165.01 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 126.911 2.085 . . . . 0.0 106.932 -172.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -141.3 155.25 45.99 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 119.276 0.944 . . . . 0.0 112.415 -175.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.4 mt -139.58 151.6 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.88 -140.02 35.42 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -129.96 10.17 5.43 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -142.47 12.28 1.93 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.784 0.833 . . . . 0.0 111.694 -176.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.77 146.15 34.56 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-N 118.769 0.713 . . . . 0.0 109.987 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -139.93 155.02 47.36 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.4 mm -135.66 148.61 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -141.28 146.84 37.29 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.406 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.2 tp -105.89 94.78 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.436 HD22 ' C2 ' ' D' ' 42' ' ' ' C' . 10.5 mt -66.44 -30.42 70.77 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -173.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.452 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 160.05 -172.86 36.63 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.559 -0.353 . . . . 0.0 113.043 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -132.19 163.12 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.863 0.363 . . . . 0.0 111.406 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.4 t -151.99 90.34 1.52 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.966 0.907 . . . . 0.0 108.997 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.41 -100.61 1.55 Allowed Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -113.25 -17.32 12.36 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -68.76 149.75 48.66 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.1 t -135.83 117.68 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -82.7 121.18 26.53 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.4 155.16 34.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -174.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.63 154.32 20.36 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.9 mt -140.99 142.99 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -140.32 107.24 5.41 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.12 156.94 40.27 Favored Pre-proline 0 N--CA 1.453 -0.313 0 C-N-CA 123.391 0.676 . . . . 0.0 110.093 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.49 158.78 51.08 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 123.577 2.852 . . . . 0.0 111.431 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 9.0 mmmm -72.87 -0.86 14.68 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.831 0.348 . . . . 0.0 110.622 175.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.83 -7.44 45.35 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.172 0.989 . . . . 0.0 110.826 172.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -138.5 168.46 19.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 123.786 0.834 . . . . 0.0 108.869 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.11 159.83 17.0 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -175.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.4 p -159.73 129.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 123.533 0.733 . . . . 0.0 109.75 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -153.72 172.79 16.74 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 122.979 0.512 . . . . 0.0 110.036 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -71.3 159.35 34.75 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -60.0 -23.62 63.81 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.328 0.513 . . . . 0.0 110.394 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.42 -50.01 36.14 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.012 0.525 . . . . 0.0 111.125 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.14 -27.29 29.1 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.178 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.52 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 78.2 t80 -61.35 -32.06 71.95 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.799 0.44 . . . . 0.0 111.892 -178.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -72.04 -21.93 61.46 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.519 0.328 . . . . 0.0 111.552 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -76.23 -18.55 58.98 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.7 mt -99.87 -44.87 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.205 -174.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.52 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 85.7 mm-40 -72.93 2.99 5.82 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.72 -15.82 59.51 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.542 0.337 . . . . 0.0 111.385 176.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.08 18.09 0.07 OUTLIER Glycine 0 C--N 1.343 0.94 0 CA-C-O 119.249 -0.751 . . . . 0.0 113.514 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -155.48 -173.28 4.48 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.348 1.074 . . . . 0.0 112.086 -170.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 m -143.33 5.26 1.44 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.177 0.591 . . . . 0.0 110.011 175.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.43 124.54 4.52 Favored Pre-proline 0 N--CA 1.45 -0.46 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -49.69 172.33 0.07 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 124.922 3.748 . . . . 0.0 114.218 175.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 CA--C 1.53 0.181 0 C-N-CA 124.324 1.05 . . . . 0.0 113.208 -176.628 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . 0.437 ' C4 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C5'-C4'-C3' 109.786 -3.809 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C5'-C4'-C3' 110.659 -3.227 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ' A' . . . . . 0.493 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 O4'-C1'-N19 111.264 3.064 . 0.046 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.493 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.065 0 P-O3'-C3' 122.204 2.087 . 0.089 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 1 O4'-C1'-N19 113.041 4.841 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C3'-C2'-C1' 104.525 3.361 . 0.184 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ' C' . . . . . 0.529 ' C6 ' " H5'" ' B' ' 42' ' ' ' C' . . . . . . . . 0 P--O5' 1.62 2.721 1 C3'-C2'-C1' 105.94 4.933 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . 0.42 ' H62' HG22 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 O3'-P-O5' 97.717 -3.307 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 0 C5'-C4'-O4' 114.459 3.757 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.474 0.771 0 CA-C-O 119.537 -0.268 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.45 HD21 " H1'" ' D' ' 39' ' ' ' G' . 5.4 mt -140.35 156.27 46.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 172.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.407 HD12 ' C ' ' C' ' 2' ' ' LEU . 3.8 mp -134.88 136.64 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 176.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -131.83 163.14 28.91 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.586 1.154 . . . . 0.0 109.701 -172.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.453 ' HB ' ' H61' ' D' ' 38' ' ' ' A' . 1.8 m -134.29 122.11 22.22 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 169.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -136.23 152.18 50.48 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.193 1.397 . . . . 0.0 108.068 -174.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -116.15 171.64 7.68 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 119.975 1.261 . . . . 0.0 111.145 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.442 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 11.1 m -60.31 129.19 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.349 -171.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.43 1.54 55.58 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.543 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -111.18 -178.58 3.5 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.076 0.938 . . . . 0.0 110.708 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 42.4 m -141.89 169.04 18.34 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -173.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.7 mm -141.52 165.95 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.893 2.077 . . . . 0.0 106.901 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -139.01 154.98 48.31 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 119.064 0.847 . . . . 0.0 112.685 -175.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -141.58 148.03 21.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 C-N-CA 124.435 1.094 . . . . 0.0 108.64 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.54 -140.16 29.8 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -129.22 10.57 5.82 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 123.811 0.844 . . . . 0.0 109.632 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -142.73 11.86 1.86 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.358 0.663 . . . . 0.0 111.621 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.49 146.24 34.49 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 118.742 0.701 . . . . 0.0 110.543 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 56.3 m -140.72 155.91 46.33 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.058 0.943 . . . . 0.0 108.831 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -134.52 145.54 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 9.5 m -138.96 151.15 46.64 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.418 HG13 ' HA ' ' C' ' 8' ' ' VAL . 0.9 OUTLIER -115.12 90.3 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.29 -25.48 67.65 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -172.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.442 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 159.8 -172.97 36.45 Favored Glycine 0 C--N 1.34 0.764 0 CA-C-N 118.066 0.394 . . . . 0.0 112.88 176.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.5 m -139.1 164.37 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 C-N-CA 122.97 0.508 . . . . 0.0 110.844 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -152.4 89.47 1.43 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.445 0.698 . . . . 0.0 109.258 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.06 -94.15 1.1 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -113.34 -16.36 12.5 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 173.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -67.13 148.36 51.95 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 67.5 t -141.36 109.9 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -83.57 121.42 27.2 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt -126.05 154.69 35.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -171.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.23 153.51 19.89 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.0 mt -140.75 139.59 34.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.25 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -138.15 105.62 5.55 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -174.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.55 156.74 45.38 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.671 0.789 . . . . 0.0 109.699 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.76 158.87 40.06 Favored 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 122.849 2.366 . . . . 0.0 110.9 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -69.26 -0.73 6.57 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.96 0.41 . . . . 0.0 110.082 172.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.02 -11.81 58.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.92 1.288 . . . . 0.0 110.788 173.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -137.74 167.06 23.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 C-N-CA 124.095 0.958 . . . . 0.0 109.28 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.77 160.13 15.71 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 122.298 -0.251 . . . . 0.0 110.842 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.406 HG13 HD12 ' A' ' 2' ' ' LEU . 0.9 OUTLIER -158.08 131.63 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 174.819 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -155.58 173.59 16.48 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 29.8 ptt-85 -82.51 166.5 19.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 173.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -64.0 -9.61 16.89 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.956 0.503 . . . . 0.0 112.318 -176.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -78.64 -45.14 22.16 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.399 -0.813 . . . . 0.0 110.637 173.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -81.63 -29.02 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 O-C-N 122.332 -0.23 . . . . 0.0 110.939 -172.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.472 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 83.6 t80 -62.86 -27.46 69.35 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 122.251 -0.281 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -77.22 -21.31 54.01 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.142 -0.349 . . . . 0.0 111.643 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -73.26 -18.81 61.18 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 92.8 mt -99.39 -47.41 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 C-N-CA 123.163 0.585 . . . . 0.0 109.908 -173.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.472 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 70.9 mm-40 -68.62 2.66 2.29 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.97 -16.77 63.77 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.372 0.269 . . . . 0.0 111.117 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.72 18.54 0.07 OUTLIER Glycine 0 CA--C 1.526 0.768 0 CA-C-O 119.227 -0.763 . . . . 0.0 114.188 176.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -157.3 178.12 10.68 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.834 1.317 . . . . 0.0 112.769 -171.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.1 p -149.35 9.32 0.73 Allowed 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.446 1.098 . . . . 0.0 110.34 173.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.64 123.78 4.27 Favored Pre-proline 0 N--CA 1.453 -0.286 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -50.17 172.58 0.07 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 124.779 3.652 . . . . 0.0 114.535 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.53 0.204 0 C-N-CA 124.452 1.101 . . . . 0.0 113.045 -178.59 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . 0.404 " H4'" ' OP2' ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 C5'-C4'-C3' 111.142 -2.906 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . 0.404 ' OP2' " H4'" ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 O5'-C5'-C4' 113.097 2.069 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' ' A' . . . . . 0.512 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.997 0 O4'-C1'-N19 111.366 3.166 . 0.058 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' ' G' . . . . . 0.512 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 P-O3'-C3' 122.727 2.522 . 0.068 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 1 O4'-C1'-N19 113.468 5.268 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 C5'-C4'-C3' 110.63 -3.247 . 0.097 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' ' C' . . . . . 0.436 ' C2 ' HD22 ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 C3'-C2'-C1' 103.544 2.271 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 1 C4'-C3'-C2' 98.69 -4.01 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.922 0 C3'-C2'-C1' 104.59 3.434 . 0.067 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.427 ' C ' HD12 ' A' ' 3' ' ' ILE . 4.9 mt -136.05 152.76 51.23 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.501 ' CD1' " H4'" ' B' ' 42' ' ' ' C' . 4.4 mp -135.43 147.75 28.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 177.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -145.8 165.78 27.84 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.803 0.841 . . . . 0.0 109.123 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -137.55 86.1 2.16 Favored 'General case' 0 C--O 1.23 0.054 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 175.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -99.85 162.94 12.68 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.077 1.351 . . . . 0.0 109.058 -173.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -121.26 171.79 8.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 120.146 1.339 . . . . 0.0 112.096 175.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.489 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 9.1 m -59.5 134.51 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.894 -172.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.39 -1.11 62.06 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.034 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -105.4 -178.9 3.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 117.596 0.698 . . . . 0.0 110.227 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.9 m -144.28 168.3 20.39 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -173.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.0 mt -144.81 166.0 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 126.11 1.764 . . . . 0.0 106.982 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -141.16 157.46 45.24 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-N 119.069 0.85 . . . . 0.0 112.44 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.1 mt -141.89 150.88 18.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 124.451 1.1 . . . . 0.0 108.875 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.5 -141.97 30.28 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -128.66 10.85 6.14 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.603 0.761 . . . . 0.0 109.728 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -141.69 12.6 2.09 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.77 0.828 . . . . 0.0 111.87 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.55 146.77 33.45 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 CA-C-N 119.127 0.876 . . . . 0.0 110.858 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.6 m -140.4 155.48 46.72 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.208 1.003 . . . . 0.0 108.867 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.1 mm -135.43 148.18 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 m -141.71 154.5 45.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.42 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.1 tp -119.68 90.25 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.619 HD11 " H1'" ' D' ' 42' ' ' ' C' . 7.8 mt -66.05 -27.62 68.23 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.977 -0.452 . . . . 0.0 111.858 -172.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 160.65 -174.63 37.35 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 121.116 -0.564 . . . . 0.0 113.446 178.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.13 163.11 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.974 0.416 . . . . 0.0 111.345 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.7 t -154.46 111.35 3.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.738 0.815 . . . . 0.0 108.824 173.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.1 -100.46 0.71 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -117.7 -16.83 10.01 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.021 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -71.43 148.32 47.01 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.8 t -134.15 116.61 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -85.13 121.94 28.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -126.45 155.35 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 O-C-N 123.977 0.798 . . . . 0.0 109.274 -172.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.86 153.05 18.24 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt -140.64 139.72 34.58 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -177.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -140.38 106.47 5.22 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -176.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.51 157.43 44.88 Favored Pre-proline 0 N--CA 1.451 -0.407 0 C-N-CA 123.485 0.714 . . . . 0.0 109.539 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.65 159.13 46.58 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 123.194 2.596 . . . . 0.0 110.827 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -69.85 -0.56 7.45 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.201 0.524 . . . . 0.0 110.129 173.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.69 -10.4 56.05 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.086 1.354 . . . . 0.0 111.055 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -139.16 168.65 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.55 0.74 . . . . 0.0 109.704 -178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.22 155.86 19.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.996 0.427 . . . . 0.0 111.326 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.98 127.14 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -153.62 171.73 18.34 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.8 mtm105 -71.96 161.22 31.25 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 173.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' CD ' HE21 ' A' ' 49' ' ' GLN . 9.8 tm-20 -62.27 -21.4 65.18 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -73.47 -34.08 65.17 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.995 0.918 . . . . 0.0 111.838 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.18 -28.03 5.05 Favored 'Isoleucine or valine' 0 C--N 1.34 0.155 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -178.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.528 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 81.5 t80 -59.94 -31.27 69.7 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.637 0.375 . . . . 0.0 111.966 -177.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.412 HE21 ' CD ' ' A' ' 45' ' ' GLU . 75.5 mt-30 -69.94 -21.56 63.26 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.784 0.433 . . . . 0.0 111.932 -178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -78.05 -18.57 55.64 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 122.945 0.498 . . . . 0.0 109.737 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.5 mt -99.96 -44.84 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 123.672 0.608 . . . . 0.0 110.473 -173.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.528 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 81.1 mm-40 -72.48 3.09 5.22 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.963 -0.46 . . . . 0.0 112.238 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.2 -15.33 62.34 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 122.786 0.434 . . . . 0.0 112.033 177.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.59 17.02 0.07 OUTLIER Glycine 0 CA--C 1.528 0.901 0 CA-C-O 119.607 -0.552 . . . . 0.0 113.646 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -156.03 -166.67 2.24 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.298 1.049 . . . . 0.0 111.217 -171.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.6 m -137.49 -7.5 1.72 Allowed 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 122.892 0.477 . . . . 0.0 111.046 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.02 95.52 2.37 Favored Pre-proline 0 N--CA 1.451 -0.424 0 C-N-CA 123.158 0.583 . . . . 0.0 109.897 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -52.74 170.28 0.29 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 124.138 3.225 . . . . 0.0 114.596 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.588 -179.857 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C5'-C4'-C3' 109.866 -3.756 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 C5'-C4'-C3' 110.805 -3.13 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ' A' . . . . . 0.492 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 O4'-C1'-N19 111.014 2.814 . 0.066 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.492 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.948 0 C3'-C2'-C1' 104.063 2.848 . 0.13 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 1 O4'-C1'-N19 113.313 5.113 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.961 0 C5'-C4'-C3' 109.74 -3.84 . 0.123 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ' C' . . . . . 0.501 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C3'-C2'-C1' 98.523 -3.308 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . 0.479 " O4'" ' C6 ' ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.407 -3.806 0 O3'-P-O5' 98.612 -2.836 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . 0.479 ' C6 ' " O4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.419 0 C5'-C4'-C3' 111.189 -2.874 . 0.174 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.471 ' HE2' ' C2 ' ' D' ' 42' ' ' ' C' . 12.6 tpt . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 119.044 -0.503 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.489 ' C ' HD13 ' C' ' 3' ' ' ILE . 4.2 mt -140.99 137.34 32.94 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.516 0.598 . . . . 0.0 110.611 176.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.531 ' N ' HD13 ' C' ' 3' ' ' ILE . 0.7 OUTLIER -109.62 137.01 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 178.291 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -135.48 158.86 43.31 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.188 0.595 . . . . 0.0 110.788 -172.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m -134.31 134.05 41.41 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 168.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.422 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 3.8 tpm_? -142.6 161.84 37.02 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -125.08 166.66 15.99 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 119.194 0.906 . . . . 0.0 110.766 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.459 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.9 m -56.41 127.55 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.788 -170.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.23 -5.2 45.12 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 115.491 -0.777 . . . . 0.0 113.071 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -108.96 -178.9 3.7 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.182 0.991 . . . . 0.0 110.818 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 59.0 m -141.96 168.9 18.64 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -172.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 34.4 mm -139.14 164.96 24.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 126.987 2.115 . . . . 0.0 106.512 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -137.94 155.06 49.29 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.156 -0.965 . . . . 0.0 112.644 -176.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mt -140.91 148.01 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.093 0.957 . . . . 0.0 108.564 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.3 -140.82 35.5 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -129.08 10.33 5.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.698 0.799 . . . . 0.0 109.512 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -143.57 12.06 1.7 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.424 0.69 . . . . 0.0 111.594 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.84 145.36 35.82 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 118.902 0.774 . . . . 0.0 110.268 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 57.5 m -141.22 154.66 45.92 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.659 0.783 . . . . 0.0 108.949 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -134.68 143.74 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 40.0 m -139.14 146.3 40.46 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.417 HG13 ' HA ' ' C' ' 8' ' ' VAL . 0.9 OUTLIER -105.71 93.68 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.485 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -65.44 -27.51 68.57 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -173.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.459 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.08 -173.33 36.71 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-N 118.227 0.467 . . . . 0.0 112.677 177.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 m -137.74 163.01 31.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 CA-C-N 117.053 0.426 . . . . 0.0 111.095 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 64.9 m -150.53 89.76 1.59 Allowed 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 124.06 0.944 . . . . 0.0 108.773 176.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.03 -94.02 0.88 Allowed Glycine 0 C--N 1.339 0.698 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -113.88 -16.74 12.17 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 117.071 0.436 . . . . 0.0 109.841 173.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -68.96 150.4 47.75 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 73.4 t -140.49 112.7 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 105.976 -1.861 . . . . 0.0 105.976 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -83.58 127.61 33.87 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -133.74 154.74 39.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -171.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.16 154.05 20.12 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.0 mt -140.69 141.53 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -176.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -139.92 105.28 5.06 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.79 156.79 44.55 Favored Pre-proline 0 N--CA 1.452 -0.362 0 C-N-CA 123.385 0.674 . . . . 0.0 109.977 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.12 158.55 47.47 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 123.26 2.64 . . . . 0.0 110.94 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -72.39 -0.84 13.5 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.176 0.512 . . . . 0.0 110.582 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.76 -6.6 45.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.572 1.149 . . . . 0.0 110.984 174.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 20.7 m -137.46 168.6 20.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 123.284 0.634 . . . . 0.0 109.74 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.6 158.07 17.54 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.709 0.29 . . . . 0.0 111.567 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.401 HG13 HD12 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -157.93 127.75 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 173.579 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -154.36 174.52 14.73 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 123.54 0.736 . . . . 0.0 109.429 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -84.82 166.68 16.7 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 175.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -58.11 -22.71 52.04 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -172.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -73.5 -46.29 48.8 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 121.954 -0.467 . . . . 0.0 111.519 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.23 -25.53 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -176.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.496 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 78.6 t80 -61.79 -31.69 71.93 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 122.284 -0.26 . . . . 0.0 111.508 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -73.71 -21.49 60.21 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 122.195 -0.316 . . . . 0.0 111.697 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -76.27 -18.9 58.77 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 123.006 0.522 . . . . 0.0 109.611 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -99.68 -47.27 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.68 -174.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.496 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 74.2 mm-40 -68.57 3.0 2.02 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.02 -16.69 64.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.736 0.414 . . . . 0.0 111.351 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.06 16.04 0.06 OUTLIER Glycine 0 CA--C 1.529 0.933 0 CA-C-O 118.965 -0.908 . . . . 0.0 114.31 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -157.8 -176.66 6.06 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.156 1.478 . . . . 0.0 112.875 -171.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 11.7 p -144.53 10.19 1.41 Allowed 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 124.164 0.986 . . . . 0.0 110.828 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.04 121.44 3.71 Favored Pre-proline 0 N--CA 1.452 -0.344 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.78 -35.49 30.76 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 124.425 3.417 . . . . 0.0 114.195 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -173.192 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C5'-C4'-C3' 110.455 -3.363 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . 0.43 " H3'" ' C8 ' ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.657 1 C5'-C4'-C3' 108.908 -4.395 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' ' A' . . . . . 0.509 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.581 1 O4'-C1'-N19 112.493 4.293 . 0.124 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' ' G' . . . . . 0.509 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.265 0 C3'-C2'-C1' 103.551 2.279 . 0.107 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 1 O4'-C1'-N19 114.285 6.085 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' ' A' . . . . . 0.449 ' C8 ' HG12 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.995 0 O4'-C4'-C3' 109.138 2.599 . 0.222 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' ' C' . . . . . 0.619 " H1'" HD11 ' A' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.408 -3.764 1 O4'-C1'-N19 112.577 4.377 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . 0.564 " H4'" ' C5 ' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.188 1 P-O3'-C3' 124.699 4.166 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . 0.564 ' C5 ' " H4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 C5'-C4'-O4' 113.816 3.297 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 tpt . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -139.53 152.12 46.67 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -137.3 138.44 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.07 165.66 24.47 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.614 0.766 . . . . 0.0 110.105 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.446 HG22 ' HG2' ' C' ' 29' ' ' GLN . 2.5 m -116.77 149.07 40.54 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -175.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.66 154.38 44.29 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 123.957 0.903 . . . . 0.0 109.854 -174.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -110.17 159.22 17.55 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.349 0.595 . . . . 0.0 110.486 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.423 ' HA ' HG13 ' A' ' 22' ' ' ILE . 18.4 m -59.32 136.3 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.721 -176.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.62 0.37 66.98 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.399 -0.667 . . . . 0.0 112.608 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -107.62 -178.51 3.65 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.197 0.998 . . . . 0.0 110.2 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.9 m -141.0 168.1 20.6 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -172.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.5 mt -142.34 162.51 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 126.11 1.764 . . . . 0.0 106.33 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -138.22 153.87 49.11 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 121.737 -0.602 . . . . 0.0 111.746 -173.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.0 mt -141.57 146.84 22.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.78 -141.08 29.09 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -129.48 10.92 5.74 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.382 0.673 . . . . 0.0 110.189 176.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -139.36 11.25 2.55 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.61 0.764 . . . . 0.0 111.925 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.27 144.57 37.75 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 CA-C-N 119.105 0.866 . . . . 0.0 110.939 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.5 m -141.33 156.8 45.8 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mm -134.05 144.7 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.541 1.137 . . . . 0.0 107.983 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -142.11 120.82 12.62 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.423 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.9 tp -80.23 103.65 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.75 -29.91 65.02 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.836 -0.166 . . . . 0.0 111.329 -175.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.415 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.28 -171.92 35.24 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 117.775 0.261 . . . . 0.0 112.48 177.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 m -132.95 163.58 37.54 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 CA-C-O 121.036 0.446 . . . . 0.0 111.367 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 t -151.02 89.41 1.53 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.008 0.923 . . . . 0.0 108.605 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.5 -102.85 1.33 Allowed Glycine 0 C--N 1.339 0.725 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 -177.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -105.69 -20.15 13.55 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 117.38 0.59 . . . . 0.0 109.561 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -66.98 147.58 53.04 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.9 t -136.66 115.04 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.1 ttt-85 -89.49 126.95 35.78 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -137.74 155.1 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 -170.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.76 157.18 18.15 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 176.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.4 mt -140.23 143.18 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -176.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -140.15 107.15 5.43 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.42 156.97 42.46 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 123.817 0.847 . . . . 0.0 109.332 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.78 158.23 51.86 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.271 2.648 . . . . 0.0 111.117 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -71.38 -4.08 24.3 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.244 0.217 . . . . 0.0 110.471 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -69.66 -6.75 33.56 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.33 1.052 . . . . 0.0 111.17 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m -136.88 168.74 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.92 157.09 21.08 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.676 0.275 . . . . 0.0 111.069 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -155.56 129.43 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 176.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -155.71 173.07 17.27 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 123.389 0.676 . . . . 0.0 109.893 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -74.83 159.87 31.38 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 173.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -57.75 -25.21 60.12 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 122.237 -0.289 . . . . 0.0 111.206 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -68.49 -39.07 81.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.368 0.667 . . . . 0.0 111.584 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -86.21 -27.26 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.462 ' HA ' HG12 ' A' ' 51' ' ' ILE . 81.1 t80 -57.17 -29.86 64.01 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.725 0.41 . . . . 0.0 111.716 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -69.36 -21.18 63.83 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.0 0.52 . . . . 0.0 111.437 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -84.71 -22.43 29.75 Favored 'General case' 0 C--N 1.339 0.141 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.462 HG12 ' HA ' ' A' ' 48' ' ' TYR . 7.5 mm -73.06 -57.45 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.456 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 85.3 mm-40 -70.29 3.24 3.02 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.197 0.999 . . . . 0.0 112.391 -174.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.83 -13.85 62.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 122.738 0.415 . . . . 0.0 111.523 176.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.29 15.29 0.06 OUTLIER Glycine 0 CA--C 1.527 0.8 0 CA-C-O 119.475 -0.625 . . . . 0.0 113.447 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -157.72 -170.16 3.1 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.507 1.154 . . . . 0.0 112.045 -171.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.8 m -140.72 -3.21 1.3 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.483 0.713 . . . . 0.0 110.398 173.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.68 122.42 4.7 Favored Pre-proline 0 N--CA 1.451 -0.41 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -50.45 175.79 0.04 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 124.753 3.635 . . . . 0.0 113.528 172.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.532 0.272 0 C-N-CA 124.119 0.968 . . . . 0.0 113.095 -176.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . 0.496 " H3'" ' C6 ' ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.625 1 C3'-C2'-C1' 105.172 4.08 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . 0.585 ' C6 ' H5'' ' B' ' 37' ' ' ' C' . . . . . . . . 0 P--O5' 1.624 3.094 0 O4'-C1'-N19 111.606 3.406 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ' A' . . . . . 0.521 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.805 3.605 . 0.118 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.521 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 P-O3'-C3' 122.396 2.247 . 0.049 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . 0.426 " H4'" H5'' ' B' ' 41' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.58 1 O4'-C1'-N19 113.376 5.176 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ' A' . . . . . 0.426 H5'' " H4'" ' B' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.397 0 C5'-C4'-C3' 110.206 -3.529 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ' C' . . . . . 0.547 " H4'" " H5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.932 0 N19-C1'-C2' 107.406 -3.746 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . 0.583 ' C5 ' " H1'" ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 N19-C1'-C2' 119.051 3.532 . 0.01 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . 0.583 " H1'" ' C5 ' ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.61 2 C5'-C4'-C3' 106.934 -5.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpt . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.4 ' C ' HD12 ' C' ' 3' ' ' ILE . 4.8 mt -136.25 155.24 50.4 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.469 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 4.5 mp -135.83 146.97 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.1 mt -146.71 165.66 28.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.123 0.969 . . . . 0.0 110.068 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -139.13 100.07 3.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 173.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.44 ' HD3' HD11 ' C' ' 12' ' ' ILE . 0.0 OUTLIER -127.51 164.24 22.37 Favored 'General case' 0 C--O 1.227 -0.107 0 C-N-CA 122.43 0.292 . . . . 0.0 110.444 176.377 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -115.35 175.54 5.47 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 123.007 0.523 . . . . 0.0 111.492 -169.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.74 142.74 11.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.55 -9.06 75.09 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.504 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . 0.468 ' HG3' ' H ' ' C' ' 11' ' ' SER . 8.3 tp10 -85.7 179.72 7.02 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 117.705 0.752 . . . . 0.0 110.249 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.468 ' H ' ' HG3' ' C' ' 10' ' ' GLU . 67.9 m -148.05 164.29 34.29 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.272 0.629 . . . . 0.0 110.983 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.44 HD11 ' HD3' ' C' ' 6' ' ' ARG . 51.8 mt -143.29 164.13 15.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -138.38 155.6 48.37 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 121.36 -0.837 . . . . 0.0 112.651 -175.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 49.2 mt -141.55 148.26 21.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 C-N-CA 124.212 1.005 . . . . 0.0 108.668 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.36 -141.04 38.81 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -129.75 10.44 5.56 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.652 0.781 . . . . 0.0 109.482 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -143.12 11.28 1.76 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.453 0.701 . . . . 0.0 111.645 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.07 144.69 37.4 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 CA-C-N 118.984 0.811 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 49.1 m -140.24 154.58 46.91 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -130.43 144.38 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 41.0 m -142.37 146.87 35.4 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -105.87 103.32 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.07 -24.68 62.37 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.049 -0.661 . . . . 0.0 109.96 -177.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.48 -169.57 32.24 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 112.239 -0.344 . . . . 0.0 112.239 173.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 15.5 m -131.84 164.9 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 CA-C-O 121.16 0.505 . . . . 0.0 111.246 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.2 m -150.24 85.26 1.39 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -129.72 21.09 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -175.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -77.99 -13.29 59.93 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.05 0.425 . . . . 0.0 110.335 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.446 ' HG2' HG22 ' A' ' 5' ' ' THR . 0.2 OUTLIER -81.5 148.99 28.93 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 85.8 t -139.58 118.88 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 -175.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -95.33 126.57 40.73 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.3 155.35 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.249 -169.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.47 155.14 20.7 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -140.19 143.36 29.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -175.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -139.15 105.28 5.22 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -174.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.75 157.61 43.86 Favored Pre-proline 0 N--CA 1.45 -0.435 0 C-N-CA 123.908 0.883 . . . . 0.0 109.594 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -62.98 158.09 45.24 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 123.194 2.596 . . . . 0.0 110.752 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -68.39 -0.68 5.18 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-O 121.223 0.535 . . . . 0.0 110.222 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.21 -11.78 59.86 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.219 1.408 . . . . 0.0 111.144 173.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 m -139.04 168.36 19.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 123.477 0.711 . . . . 0.0 110.032 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.33 158.64 16.72 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.921 -177.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -158.25 126.9 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -158.73 170.11 22.88 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 120.847 0.356 . . . . 0.0 111.429 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.436 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 24.8 ttp-105 -68.68 153.11 44.38 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 169.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -13.68 32.32 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.588 0.631 . . . . 0.0 111.9 -177.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 45.8 tt0 -70.94 -36.92 72.82 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.911 0.484 . . . . 0.0 110.566 177.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 mm -91.31 -25.23 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.511 ' HA ' HG12 ' C' ' 51' ' ' ILE . 78.3 t80 -59.67 -28.4 67.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.05 0.54 . . . . 0.0 111.549 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -70.38 -19.54 63.01 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.882 0.473 . . . . 0.0 111.277 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -86.26 -22.04 27.04 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 174.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.511 HG12 ' HA ' ' C' ' 48' ' ' TYR . 9.0 mm -72.61 -56.43 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.419 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 86.2 mm-40 -70.37 3.24 3.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.056 0.942 . . . . 0.0 112.253 -174.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.84 -13.15 62.13 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.755 0.422 . . . . 0.0 111.467 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.26 15.37 0.05 OUTLIER Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.404 -0.665 . . . . 0.0 113.78 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -158.36 -168.39 2.44 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.483 1.141 . . . . 0.0 111.489 -171.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 5.6 m -141.98 -2.97 1.13 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.579 0.352 . . . . 0.0 110.995 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.28 119.38 2.91 Favored Pre-proline 0 N--CA 1.452 -0.374 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.31 154.86 5.41 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 124.207 3.271 . . . . 0.0 113.453 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 CA--C 1.535 0.372 0 C-N-CA 124.305 1.042 . . . . 0.0 112.509 176.426 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C5'-C4'-C3' 110.557 -3.296 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.916 0 C5'-C4'-C3' 110.86 -3.093 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' ' A' . . . . . 0.411 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.872 1 C5'-C4'-C3' 109.432 -4.045 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' ' G' . . . . . 0.411 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C3'-C2'-C1' 103.567 2.297 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 1 O4'-C1'-N19 112.926 4.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 C5'-C4'-C3' 109.55 -3.966 . 0.107 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' ' C' . . . . . 0.477 " C3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.004 0 O4'-C1'-N19 112.033 3.833 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . 0.477 H5'' " C3'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.406 -3.912 0 O3'-P-O5' 99.19 -2.531 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . 0.465 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C5'-C4'-C3' 110.758 -3.161 . 0.189 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 tpt . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mt -136.84 156.12 48.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.48 HG22 ' H62' ' B' ' 43' ' ' ' A' . 4.9 mp -134.42 145.26 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 174.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -143.54 165.84 26.46 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.998 0.919 . . . . 0.0 109.441 -177.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.33 96.41 3.72 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 173.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -98.64 163.09 12.79 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.429 1.491 . . . . 0.0 108.508 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -130.24 169.43 15.4 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 119.61 1.096 . . . . 0.0 110.619 171.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.452 ' HA ' HG13 ' A' ' 22' ' ' ILE . 7.7 m -58.45 133.06 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -169.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.68 -0.51 61.17 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.678 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -106.22 -179.12 3.85 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.244 1.022 . . . . 0.0 110.96 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.1 m -144.23 168.41 20.13 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -173.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.4 mt -141.21 165.71 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 125.853 1.661 . . . . 0.0 106.632 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -138.39 153.65 48.91 Favored 'General case' 0 C--O 1.228 -0.062 0 CA-C-N 118.695 0.68 . . . . 0.0 111.712 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.7 mt -140.5 147.32 23.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.16 -141.23 34.17 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -130.02 10.96 5.5 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.147 0.579 . . . . 0.0 110.206 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -139.66 12.18 2.5 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.785 0.834 . . . . 0.0 111.826 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.77 146.92 33.37 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-N 119.059 0.845 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.2 m -141.11 155.74 46.08 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.737 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.1 mm -135.34 146.33 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.5 m -142.65 146.59 34.62 Favored 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.452 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.2 tp -105.52 96.33 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.81 -27.04 66.39 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.595 -172.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.428 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 156.04 -170.82 33.82 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 112.008 -0.437 . . . . 0.0 112.008 176.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -133.33 161.21 41.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 CA-C-N 117.446 0.623 . . . . 0.0 112.069 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.2 m -150.04 89.47 1.6 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.165 1.386 . . . . 0.0 107.834 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.72 -137.3 28.58 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 -175.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -72.3 -18.29 61.8 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.856 0.828 . . . . 0.0 109.96 175.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.47 149.55 45.74 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -140.58 116.22 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -86.26 123.38 31.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -130.18 155.13 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -172.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.17 159.33 23.04 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.9 mt -139.97 142.36 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.404 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -139.97 105.83 5.17 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -176.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.03 157.26 43.44 Favored Pre-proline 0 N--CA 1.452 -0.375 0 C-N-CA 123.795 0.838 . . . . 0.0 109.46 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.64 158.78 48.36 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.181 2.587 . . . . 0.0 110.793 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -69.47 -0.8 7.07 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 121.474 0.654 . . . . 0.0 110.196 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -66.67 -10.75 49.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.945 1.298 . . . . 0.0 111.015 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -137.8 168.56 20.37 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 C-N-CA 123.48 0.712 . . . . 0.0 109.766 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.93 153.92 22.88 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.287 0.235 . . . . 0.0 111.012 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -156.11 124.58 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -152.51 168.89 24.06 Favored 'General case' 0 N--CA 1.458 -0.032 0 C-N-CA 122.789 0.436 . . . . 0.0 110.248 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 ttp85 -72.18 155.18 40.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -57.69 -23.75 53.24 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.521 0.201 . . . . 0.0 110.68 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -68.23 -50.53 53.39 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.179 0.592 . . . . 0.0 110.877 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.0 mm -74.75 -26.96 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 122.754 0.421 . . . . 0.0 110.838 -174.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.499 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 83.7 t80 -61.48 -28.42 69.28 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.278 0.631 . . . . 0.0 111.773 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -73.54 -21.47 60.36 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.778 0.431 . . . . 0.0 111.696 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -76.64 -19.18 58.08 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.8 mt -99.43 -47.9 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.592 -172.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.499 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 72.4 mm-40 -69.41 3.14 2.46 Favored 'General case' 0 CA--C 1.528 0.104 0 O-C-N 121.873 -0.517 . . . . 0.0 111.738 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.49 -16.39 63.61 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 122.251 -0.28 . . . . 0.0 111.387 174.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.02 17.78 0.07 OUTLIER Glycine 0 CA--C 1.528 0.872 0 CA-C-O 118.998 -0.89 . . . . 0.0 113.791 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -158.1 -179.26 7.96 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.139 1.469 . . . . 0.0 112.951 -170.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.1 p -146.67 8.18 0.99 Allowed 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.324 1.05 . . . . 0.0 110.474 172.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.93 124.79 4.75 Favored Pre-proline 0 N--CA 1.452 -0.366 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -50.29 171.4 0.1 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 124.438 3.425 . . . . 0.0 114.389 174.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.455 -0.176 0 C-N-CA 124.018 0.927 . . . . 0.0 112.635 -177.717 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . 0.403 ' H6 ' " H2'" ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.011 0 C5'-C4'-C3' 110.535 -3.31 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 O5'-C5'-C4' 112.892 1.923 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ' A' . . . . . 0.471 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.809 0 O4'-C1'-N19 111.586 3.386 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.471 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.928 0 P-O3'-C3' 122.194 2.079 . 0.123 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 1 O4'-C1'-N19 112.537 4.337 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C5'-C4'-C3' 110.291 -3.473 . 0.114 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ' C' . . . . . 0.431 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C4'-C3'-C2' 99.75 -2.95 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . 0.48 ' H62' HG22 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.877 1 O4'-C1'-N19 112.512 4.312 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.824 0 C5'-C4'-O4' 113.253 2.895 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.454 ' CD2' " H1'" ' D' ' 39' ' ' ' G' . 4.2 mt -139.97 152.24 46.15 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 176.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.424 ' C ' HD22 ' C' ' 4' ' ' LEU . 4.5 mp -136.87 139.69 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.436 HD13 ' C2 ' ' D' ' 38' ' ' ' A' . 4.3 mm? -131.59 162.41 30.4 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.744 1.218 . . . . 0.0 108.394 -178.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -136.82 87.57 2.3 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 172.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.647 HH21 HG22 ' C' ' 22' ' ' ILE . 8.8 ttp180 -104.69 177.25 4.9 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 125.352 1.461 . . . . 0.0 109.946 -173.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -134.76 170.86 15.2 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 118.668 0.667 . . . . 0.0 111.959 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.478 ' HA ' HG13 ' C' ' 22' ' ' ILE . 6.2 m -56.07 134.08 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.921 -173.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.12 -11.93 63.81 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 115.556 -0.747 . . . . 0.0 113.021 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -88.89 179.29 6.22 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.291 1.045 . . . . 0.0 111.504 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -145.95 165.35 29.22 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.417 HG22 ' N ' ' C' ' 13' ' ' ASN . 36.8 mm -141.99 167.56 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.928 1.691 . . . . 0.0 107.76 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . 0.417 ' N ' HG22 ' C' ' 12' ' ' ILE . 20.7 m120 -135.86 153.5 51.46 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-O 121.136 0.493 . . . . 0.0 111.922 -177.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 57.6 mt -138.96 147.48 24.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.93 -139.35 33.04 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -130.52 11.78 5.35 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.337 0.655 . . . . 0.0 110.292 176.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -140.18 11.15 2.37 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.869 0.867 . . . . 0.0 112.007 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.22 145.28 35.57 Favored 'Isoleucine or valine' 0 C--N 1.342 0.25 0 CA-C-N 118.942 0.792 . . . . 0.0 110.586 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 51.3 m -140.53 153.35 46.13 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.817 0.847 . . . . 0.0 108.828 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -133.66 144.89 34.55 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 38.6 m -140.19 147.01 39.47 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.647 HG22 HH21 ' C' ' 6' ' ' ARG . 2.4 tp -105.27 97.54 5.73 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.431 HD13 " H1'" ' B' ' 42' ' ' ' C' . 13.8 mt -68.58 -27.32 65.95 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -173.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.439 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 157.07 -173.2 34.67 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 118.02 0.373 . . . . 0.0 112.481 175.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.5 m -135.11 163.36 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 117.157 0.478 . . . . 0.0 111.476 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 29.1 t -151.85 89.81 1.49 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.873 0.869 . . . . 0.0 109.269 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.15 -92.7 0.95 Allowed Glycine 0 C--N 1.338 0.645 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -113.43 -19.02 11.86 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 122.858 0.463 . . . . 0.0 109.99 173.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -68.97 147.28 51.86 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -138.01 106.53 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -82.48 125.63 31.31 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mt -128.89 155.34 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -171.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.42 154.27 19.92 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 57.1 mt -140.57 144.08 27.94 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -140.49 107.11 5.33 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -175.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.82 157.02 41.15 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 123.738 0.815 . . . . 0.0 109.969 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.12 158.08 53.89 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.152 2.568 . . . . 0.0 111.231 175.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' C' ' 38' ' ' LYS . 3.2 mmmp? -71.91 -1.73 15.41 Favored 'General case' 0 CA--C 1.524 -0.043 0 N-CA-C 110.48 -0.192 . . . . 0.0 110.48 175.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.12 -6.52 34.6 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.06 0.944 . . . . 0.0 111.028 173.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.59 168.65 19.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 123.882 0.873 . . . . 0.0 109.198 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.53 155.91 22.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.154 -0.341 . . . . 0.0 111.078 -175.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -156.01 127.42 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 174.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -156.7 171.49 20.27 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 124.123 0.969 . . . . 0.0 108.952 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -82.52 166.03 19.64 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -57.33 -24.22 53.74 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -172.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -69.3 -47.18 65.25 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.869 0.366 . . . . 0.0 111.127 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm -77.62 -25.9 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.383 -172.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.455 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 80.0 t80 -60.56 -30.36 69.74 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 122.528 0.331 . . . . 0.0 111.553 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -72.91 -21.83 60.84 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.212 -0.305 . . . . 0.0 111.427 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -82.09 -18.52 42.74 Favored 'General case' 0 CA--C 1.523 -0.091 0 C-N-CA 123.048 0.539 . . . . 0.0 109.97 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 90.6 mt -99.2 -35.32 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 C-N-CA 123.312 0.645 . . . . 0.0 110.338 -173.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.455 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 77.7 mm-40 -82.99 3.29 30.77 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.258 0.223 . . . . 0.0 110.599 175.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.82 -20.38 65.75 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.81 27.49 0.06 OUTLIER Glycine 0 CA--C 1.528 0.89 0 CA-C-O 118.735 -1.036 . . . . 0.0 114.11 178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.41 -30.28 0.2 Allowed 'General case' 0 C--N 1.338 0.091 0 N-CA-C 115.282 1.586 . . . . 0.0 115.282 -173.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 3.9 m 32.87 45.75 0.07 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.933 0.893 . . . . 0.0 112.67 -171.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.18 69.46 18.0 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 123.168 0.587 . . . . 0.0 110.758 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -49.05 169.27 0.1 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 124.506 3.471 . . . . 0.0 114.603 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.531 0.219 0 C-N-CA 124.25 1.02 . . . . 0.0 113.181 -176.395 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C5'-C4'-C3' 111.066 -2.956 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 O5'-C5'-C4' 113.735 2.525 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' ' A' . . . . . 0.484 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.88 0 O4'-C1'-N19 110.55 2.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' ' G' . . . . . 0.484 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.974 0 C3'-C2'-C1' 103.381 2.09 . 0.092 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 1 O4'-C1'-N19 112.84 4.64 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.396 0 C5'-C4'-C3' 109.895 -3.736 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' ' C' . . . . . 0.404 " H4'" HD13 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.423 -2.487 1 O4'-C1'-N19 112.353 4.153 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 C4'-C3'-C2' 100.562 -2.138 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 N19-C1'-C2' 108.629 -2.982 . 0.408 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mt -138.39 151.18 47.25 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.474 ' CD1' " H4'" ' B' ' 42' ' ' ' C' . 4.5 mp -133.79 146.77 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 177.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -146.84 166.24 27.28 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 123.877 0.871 . . . . 0.0 109.838 -175.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -130.84 96.26 4.03 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 172.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -104.31 162.02 13.56 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.33 1.052 . . . . 0.0 108.444 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -124.36 168.77 12.56 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 119.594 1.088 . . . . 0.0 111.058 175.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.435 ' HA ' HG13 ' A' ' 22' ' ' ILE . 10.2 m -57.05 135.23 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.533 -170.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.03 -3.01 66.63 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.616 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -102.53 -179.47 3.98 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 117.919 0.859 . . . . 0.0 110.426 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.7 m -142.69 168.24 20.18 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-O 121.553 0.692 . . . . 0.0 112.785 -173.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -144.01 165.57 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.899 1.68 . . . . 0.0 106.68 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -141.5 156.97 45.7 Favored 'General case' 0 N--CA 1.461 0.081 0 CA-C-N 118.979 0.809 . . . . 0.0 112.11 -175.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.1 mt -141.4 149.72 20.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 123.95 0.9 . . . . 0.0 108.911 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.62 -140.41 33.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -129.56 10.64 5.67 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.549 0.74 . . . . 0.0 110.305 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -141.36 11.5 2.13 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 123.897 0.879 . . . . 0.0 112.035 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -127.77 146.13 33.93 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 CA-C-N 119.419 1.008 . . . . 0.0 110.924 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.7 m -140.51 155.89 46.5 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.897 0.879 . . . . 0.0 108.87 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -136.35 147.72 27.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 C-N-CA 124.514 1.125 . . . . 0.0 108.113 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -142.64 146.33 34.38 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.435 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.2 tp -105.41 90.77 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mt -62.96 -29.48 70.84 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -172.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.55 -170.03 35.72 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-N 118.407 0.549 . . . . 0.0 112.238 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -135.33 160.91 40.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 117.112 0.456 . . . . 0.0 111.436 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -150.25 89.37 1.58 Allowed 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.23 -135.01 29.31 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -74.15 -19.14 60.66 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 117.893 0.846 . . . . 0.0 109.999 176.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.4 150.19 46.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.5 t -139.46 119.28 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -85.86 129.15 34.91 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -133.3 155.15 40.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -171.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.91 154.69 21.26 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.5 mt -140.31 142.87 30.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -140.46 107.02 5.31 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.5 157.63 44.61 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 123.78 0.832 . . . . 0.0 109.241 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.54 159.4 44.77 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.948 2.432 . . . . 0.0 111.108 175.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 11.2 mmmm -70.68 -0.37 8.63 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-O 121.094 0.473 . . . . 0.0 110.014 172.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.45 -11.57 58.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.837 1.255 . . . . 0.0 110.758 173.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -138.98 168.62 18.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.203 1.001 . . . . 0.0 109.609 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.13 157.08 20.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 122.278 -0.264 . . . . 0.0 111.211 -176.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -155.88 127.6 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -155.03 173.51 16.47 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 122.906 0.482 . . . . 0.0 110.445 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -70.04 156.4 39.21 Favored 'General case' 0 N--CA 1.458 -0.061 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 174.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -58.23 -23.31 55.4 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.627 0.251 . . . . 0.0 110.786 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -68.6 -48.63 63.65 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.087 0.555 . . . . 0.0 110.663 178.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.4 mm -76.59 -25.64 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 CA-C-O 120.844 0.354 . . . . 0.0 110.371 -174.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.513 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 80.3 t80 -61.38 -28.41 69.22 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.452 0.701 . . . . 0.0 111.535 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -73.3 -21.61 60.54 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 121.98 -0.45 . . . . 0.0 111.677 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -76.5 -19.19 58.24 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.6 mt -99.31 -46.6 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 C-N-CA 122.774 0.43 . . . . 0.0 110.607 -172.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.513 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 75.6 mm-40 -69.48 2.26 3.26 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 122.102 -0.374 . . . . 0.0 111.892 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.05 -16.26 63.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 122.698 0.399 . . . . 0.0 111.443 174.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.55 19.21 0.07 OUTLIER Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.082 -0.843 . . . . 0.0 114.572 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -159.16 -175.92 5.53 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.85 1.325 . . . . 0.0 112.705 -170.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.3 p -144.58 14.9 1.6 Allowed 'General case' 0 C--O 1.231 0.106 0 C-N-CA 124.573 1.149 . . . . 0.0 110.955 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.84 125.29 6.22 Favored Pre-proline 0 N--CA 1.452 -0.366 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -45.9 -31.52 8.24 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 124.786 3.657 . . . . 0.0 114.277 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.446 -0.647 0 CA-C-O 120.883 0.373 . . . . 0.0 110.582 -175.866 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C5'-C4'-C3' 110.303 -3.464 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 O4'-C1'-N19 110.864 2.664 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ' A' . . . . . 0.572 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 110.974 2.774 . 0.046 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.572 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 P-O3'-C3' 122.489 2.324 . 0.079 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 2 O4'-C1'-N19 114.969 6.769 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.971 0 C5'-C4'-C3' 109.597 -3.935 . 0.135 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ' C' . . . . . 0.477 " C3'" H5'' ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 O4'-C1'-N19 111.735 3.535 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . 0.484 " O4'" ' C6 ' ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.405 -3.963 0 O3'-P-O5' 99.774 -2.224 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . 0.484 ' C6 ' " O4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C5'-C4'-C3' 110.901 -3.066 . 0.177 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.4 tpt . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 119.434 -0.317 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mt -136.92 153.33 50.75 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.498 HD11 " C5'" ' D' ' 42' ' ' ' C' . 4.5 mp -138.29 146.15 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.3 mt -145.53 167.1 23.83 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.836 0.854 . . . . 0.0 109.639 -176.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -137.07 90.31 2.52 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.401 ' CD ' HD11 ' C' ' 12' ' ' ILE . 1.2 mmp_? -104.68 166.37 10.43 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 124.986 1.314 . . . . 0.0 109.591 -175.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -124.71 171.0 10.44 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 118.866 0.757 . . . . 0.0 111.589 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.463 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.4 m -56.51 132.43 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.372 -170.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.14 -15.11 55.11 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.206 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -86.01 177.72 7.49 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.153 0.977 . . . . 0.0 111.618 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -145.99 163.74 34.26 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.149 0.58 . . . . 0.0 111.347 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.401 HD11 ' CD ' ' C' ' 6' ' ' ARG . 40.6 mm -141.54 165.85 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 125.986 1.714 . . . . 0.0 107.069 -178.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -137.92 154.63 49.41 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 118.982 0.81 . . . . 0.0 112.353 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 48.4 mt -141.09 148.28 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.049 0.94 . . . . 0.0 108.624 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.0 -140.68 38.39 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -129.99 10.59 5.47 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 123.758 0.823 . . . . 0.0 109.658 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -142.31 11.4 1.93 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.343 0.657 . . . . 0.0 111.762 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -128.72 147.25 33.19 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 CA-C-N 118.83 0.741 . . . . 0.0 110.585 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 35.6 m -141.03 157.26 45.56 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -135.05 148.05 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 27.4 m -143.81 145.2 32.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.43 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.3 tp -106.06 95.68 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.9 -28.53 66.76 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.199 -0.313 . . . . 0.0 111.519 -172.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.75 -173.6 37.28 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 117.918 0.326 . . . . 0.0 112.793 178.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -133.66 161.46 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-O 121.17 0.51 . . . . 0.0 111.58 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -150.2 89.26 1.57 Allowed 'General case' 0 C--O 1.231 0.082 0 C-N-CA 124.692 1.197 . . . . 0.0 108.491 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.33 -102.97 1.24 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -106.68 -19.14 13.75 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 117.198 0.499 . . . . 0.0 109.702 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -69.54 146.99 51.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -136.17 117.73 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -79.3 117.94 20.77 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 176.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -124.9 153.26 31.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -176.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.44 156.44 21.84 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 71.8 mt -140.79 139.09 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -135.2 98.63 4.03 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.32 0.581 . . . . 0.0 109.805 -173.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.37 153.98 59.89 Favored Pre-proline 0 N--CA 1.448 -0.566 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.761 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.51 152.18 78.9 Favored 'Trans proline' 0 N--CA 1.443 -1.466 0 C-N-CA 122.213 1.942 . . . . 0.0 110.049 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -7.01 9.42 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 121.217 0.532 . . . . 0.0 110.995 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.69 -9.34 19.17 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.702 1.601 . . . . 0.0 112.04 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -133.81 167.56 26.02 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.19 153.6 20.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.558 -174.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -158.84 129.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 123.173 0.589 . . . . 0.0 109.5 174.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -155.37 173.14 17.08 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.39 0.676 . . . . 0.0 109.548 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -76.62 166.73 22.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -59.57 -25.12 64.31 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -174.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -66.67 -52.84 40.32 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 120.878 0.371 . . . . 0.0 110.669 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.3 mm -73.02 -30.18 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.556 -173.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -56.67 -27.89 59.6 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -63.34 -14.23 47.7 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.335 0.654 . . . . 0.0 112.063 -177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -86.89 -41.93 13.61 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.056 0.389 . . . . 0.0 110.489 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.401 HG22 ' N ' ' C' ' 52' ' ' GLN . 1.5 mp -56.41 -63.69 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 C-N-CA 125.319 1.448 . . . . 0.0 113.978 -168.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.401 ' N ' HG22 ' C' ' 51' ' ' ILE . 0.0 OUTLIER -71.46 0.44 8.34 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.325 0.65 . . . . 0.0 112.546 -176.298 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.43 -16.78 62.98 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.712 -0.617 . . . . 0.0 111.4 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.63 26.92 0.4 Allowed Glycine 0 CA--C 1.524 0.649 0 CA-C-O 118.84 -0.978 . . . . 0.0 113.425 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.88 -30.84 0.35 Allowed 'General case' 0 C--O 1.23 0.074 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -172.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 7.1 m 44.18 22.7 0.05 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.0 0.92 . . . . 0.0 113.193 -173.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.33 94.67 2.36 Favored Pre-proline 0 N--CA 1.453 -0.294 0 C-N-CA 123.388 0.675 . . . . 0.0 109.548 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -50.2 152.28 8.25 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.819 3.013 . . . . 0.0 114.12 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 CA--C 1.538 0.513 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 170.701 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 C4'-C3'-C2' 99.187 -3.513 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C5'-C4'-C3' 111.438 -2.708 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' ' A' . . . . . 0.551 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 O4'-C1'-N19 110.573 2.373 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' ' G' . . . . . 0.551 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C3'-C2'-C1' 103.577 2.307 . 0.109 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 1 O4'-C1'-N19 113.252 5.052 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.36 0 C3'-C2'-C1' 104.614 3.46 . 0.151 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' ' C' . . . . . 0.579 " C3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.987 0 O5'-C5'-C4' 115.463 3.759 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . 0.579 H5'' " C3'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.053 2 O4'-C1'-N19 114.136 5.936 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . 0.445 ' C6 ' " H2'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 C5'-C4'-O4' 114.092 3.494 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.507 -0.282 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 mt -140.53 151.44 44.76 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.674 0.389 . . . . 0.0 110.103 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.435 ' CD1' ' C8 ' ' B' ' 41' ' ' ' A' . 5.0 mp -131.64 145.41 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -146.69 165.79 28.53 Favored 'General case' 0 C--O 1.23 0.075 0 C-N-CA 123.81 0.844 . . . . 0.0 110.449 -173.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.94 96.62 3.96 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-O 121.656 0.741 . . . . 0.0 109.579 173.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -99.22 163.04 12.72 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.168 1.787 . . . . 0.0 108.747 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -127.54 168.81 14.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.895 1.225 . . . . 0.0 110.568 171.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.448 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 8.3 m -57.61 133.66 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 121.491 0.662 . . . . 0.0 111.999 -170.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.88 -1.06 63.04 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.581 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -105.98 179.4 4.28 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 117.944 0.872 . . . . 0.0 110.341 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.1 m -142.75 168.53 19.49 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -172.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.7 mt -142.79 165.69 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.035 1.734 . . . . 0.0 106.788 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -139.85 155.24 47.33 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 119.393 0.997 . . . . 0.0 112.082 -175.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.4 mt -140.31 148.11 22.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 123.969 0.907 . . . . 0.0 108.943 177.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.71 -138.97 32.8 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -129.71 10.26 5.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.11 0.564 . . . . 0.0 109.884 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -140.83 10.99 2.23 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 123.367 0.667 . . . . 0.0 111.67 -177.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -129.32 145.56 35.56 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 CA-C-N 118.993 0.815 . . . . 0.0 110.418 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.4 m -140.76 156.45 46.18 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.6 mm -134.76 148.8 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.4 m -144.01 147.24 33.61 Favored 'General case' 0 N--CA 1.457 -0.086 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.444 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.1 tp -107.19 92.26 2.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.3 -26.46 68.07 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -173.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.448 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.69 -173.16 36.38 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 118.15 0.432 . . . . 0.0 112.856 175.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -137.38 162.1 33.58 Favored 'Isoleucine or valine' 0 C--N 1.34 0.164 0 C-N-CA 122.696 0.398 . . . . 0.0 110.966 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -150.47 89.57 1.58 Allowed 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.887 0.875 . . . . 0.0 108.658 176.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.49 -102.47 1.5 Allowed Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 -177.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -105.42 -15.94 14.88 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 117.339 0.57 . . . . 0.0 109.68 174.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -69.28 147.31 51.37 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -141.21 109.54 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -85.16 124.39 31.77 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -128.61 155.42 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -171.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.24 155.5 20.39 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 109.791 -1.323 . . . . 0.0 109.791 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.1 mt -140.39 131.43 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -130.45 99.38 4.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.284 0.564 . . . . 0.0 110.052 -173.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.34 154.78 64.37 Favored Pre-proline 0 N--CA 1.448 -0.572 0 C-N-CA 124.143 0.977 . . . . 0.0 108.562 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.428 ' C ' ' H ' ' A' ' 39' ' ' ASP . 21.8 Cg_endo -60.08 154.96 47.72 Favored 'Trans proline' 0 N--CA 1.443 -1.457 0 C-N-CA 122.13 1.887 . . . . 0.0 109.985 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.85 -3.11 2.19 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.039 0.447 . . . . 0.0 109.903 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 37' ' ' PRO . 19.1 t70 -70.09 -13.58 62.27 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.984 2.114 . . . . 0.0 112.48 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.57 167.51 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.113 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.9 150.84 22.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.676 0.274 . . . . 0.0 110.963 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.47 128.6 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 174.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -153.98 173.15 16.37 Favored 'General case' 0 CA--C 1.527 0.081 0 C-N-CA 122.927 0.491 . . . . 0.0 109.906 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.2 mtm105 -75.14 162.8 28.19 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.68 -23.5 64.89 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.317 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -71.84 -34.5 69.33 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.723 0.409 . . . . 0.0 111.463 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -91.31 -30.22 4.79 Favored 'Isoleucine or valine' 0 C--N 1.337 0.057 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -176.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -55.55 -28.49 55.19 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -63.35 -13.21 36.69 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 124.026 0.93 . . . . 0.0 112.427 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -86.48 -38.96 16.75 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 118.075 0.398 . . . . 0.0 110.797 173.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -63.8 -63.97 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.064 0 C-N-CA 124.155 0.982 . . . . 0.0 113.237 -168.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -1.76 3.2 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -176.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -14.86 62.99 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 118.222 0.464 . . . . 0.0 110.729 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.03 21.84 0.85 Allowed Glycine 0 CA--C 1.526 0.722 0 CA-C-O 119.506 -0.608 . . . . 0.0 112.799 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 55' ' ' LEU . 4.3 pp -154.68 179.38 9.12 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.406 1.103 . . . . 0.0 112.881 -169.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 42.1 p -145.13 3.13 1.03 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.539 0.735 . . . . 0.0 110.632 175.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.32 79.29 5.02 Favored Pre-proline 0 N--CA 1.453 -0.29 0 C-N-CA 123.741 0.816 . . . . 0.0 109.88 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -46.71 -37.31 20.7 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 124.377 3.385 . . . . 0.0 114.162 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.1 t0 . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -176.051 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . 0.433 H5'' ' C6 ' ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 C5'-C4'-C3' 110.873 -3.085 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . 0.413 ' C6 ' " H5'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.033 0 O4'-C1'-N19 110.254 2.054 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ' A' . . . . . 0.502 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.777 1 O4'-C1'-N19 112.212 4.012 . 0.04 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.502 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 C3'-C2'-C1' 103.644 2.382 . 0.096 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.451 3 O4'-C1'-N19 115.923 7.723 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ' A' . . . . . 0.435 ' C8 ' ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 C5'-C4'-C3' 110.823 -3.118 . 0.141 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ' C' . . . . . 0.54 " H1'" ' CD1' ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 O4'-C1'-N19 111.805 3.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . 0.548 " O4'" " H3'" ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.409 -3.681 0 O3'-P-O5' 99.379 -2.432 OUTLIER-EPSILON 0.141 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . 0.548 " H3'" " O4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.288 1 P-O3'-C3' 125.574 4.895 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mt -140.35 156.06 46.56 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.43 HG22 ' H62' ' D' ' 43' ' ' ' A' . 4.8 mp -137.27 147.59 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 176.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -145.26 165.61 27.91 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.919 0.888 . . . . 0.0 110.087 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.38 96.63 3.3 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.36 178.64 4.5 Favored 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 123.894 0.878 . . . . 0.0 109.325 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -128.67 172.42 11.25 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.877 0.308 . . . . 0.0 110.975 172.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.6 131.16 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 121.232 0.539 . . . . 0.0 112.114 -172.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.24 -7.88 58.67 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.329 175.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -92.05 -179.98 5.42 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 117.926 0.863 . . . . 0.0 110.705 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -142.39 166.14 25.49 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -173.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 50.3 mt -144.42 166.95 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 125.736 1.614 . . . . 0.0 107.004 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -141.61 156.07 45.69 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.118 0.872 . . . . 0.0 112.641 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 43.7 mt -143.36 149.15 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 124.248 1.019 . . . . 0.0 108.861 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.58 -141.26 35.71 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -129.13 10.16 5.8 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.622 0.769 . . . . 0.0 109.912 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -142.45 10.38 1.86 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.316 0.646 . . . . 0.0 111.485 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.29 145.93 34.6 Favored 'Isoleucine or valine' 0 C--N 1.341 0.225 0 CA-C-N 118.639 0.654 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -140.13 157.04 46.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.9 mm -135.18 148.69 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 10.9 m -142.61 153.78 43.79 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.73 94.9 3.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.54 ' CD1' " H1'" ' B' ' 42' ' ' ' C' . 8.1 mt -67.47 -29.84 69.39 Favored 'General case' 0 C--N 1.341 0.227 0 O-C-N 121.716 -0.615 . . . . 0.0 112.601 -169.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.66 -172.1 38.64 Favored Glycine 0 C--N 1.34 0.77 0 CA-C-N 118.652 0.66 . . . . 0.0 112.489 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 m -133.77 162.05 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.223 0.535 . . . . 0.0 111.67 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 51.8 p -150.78 89.9 1.58 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.41 -126.66 11.5 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -175.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -84.06 -17.22 41.04 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 117.641 0.721 . . . . 0.0 109.528 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.9 147.26 48.96 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 74.5 t -137.79 115.92 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -85.76 125.42 33.22 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.2 mt -127.72 154.86 38.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -171.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.77 154.25 19.63 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 109.784 -1.326 . . . . 0.0 109.784 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 77.8 mt -140.36 138.28 36.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -135.24 98.79 4.07 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.097 0.475 . . . . 0.0 109.953 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.93 153.49 57.31 Favored Pre-proline 0 N--CA 1.448 -0.536 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.346 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.12 153.03 72.19 Favored 'Trans proline' 0 N--CA 1.445 -1.346 0 C-N-CA 122.657 2.238 . . . . 0.0 110.239 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -64.44 -8.26 12.88 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 121.21 0.528 . . . . 0.0 110.531 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.65 -9.33 18.9 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.573 1.549 . . . . 0.0 112.265 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -134.08 167.7 25.59 Favored 'Isoleucine or valine' 0 C--N 1.34 0.157 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.43 154.15 18.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -176.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -160.48 128.62 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.103 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 172.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -154.81 172.23 18.33 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 122.925 0.49 . . . . 0.0 109.801 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -73.11 161.8 30.19 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -60.83 -23.24 64.95 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.653 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -68.88 -47.91 64.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.549 0.34 . . . . 0.0 110.849 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 17.0 mm -77.03 -24.78 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-O 120.723 0.296 . . . . 0.0 110.48 -174.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.513 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 80.9 t80 -62.41 -29.7 70.69 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.565 0.346 . . . . 0.0 111.717 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -73.59 -21.59 60.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -75.72 -19.75 58.85 Favored 'General case' 0 C--N 1.34 0.177 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -99.4 -46.57 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.511 -172.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.513 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 74.5 mm-40 -69.98 3.03 2.94 Favored 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.33 -16.68 63.83 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.303 0.241 . . . . 0.0 111.252 174.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.96 18.27 0.08 OUTLIER Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.888 -0.951 . . . . 0.0 114.28 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -157.67 -176.27 5.84 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.892 1.346 . . . . 0.0 112.813 -170.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 16.6 p -143.95 8.2 1.45 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.407 1.083 . . . . 0.0 110.33 172.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.27 122.46 3.8 Favored Pre-proline 0 N--CA 1.452 -0.338 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -51.11 170.77 0.14 Allowed 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 124.591 3.528 . . . . 0.0 114.853 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 CA--C 1.532 0.252 0 C-N-CA 124.554 1.141 . . . . 0.0 112.986 -177.754 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 0 C3'-C2'-C1' 104.966 3.851 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 O5'-C5'-C4' 113.135 2.096 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' ' A' . . . . . 0.493 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 O4'-C1'-N19 111.813 3.613 . 0.079 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' ' G' . . . . . 0.493 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.967 0 C3'-C2'-C1' 103.627 2.364 . 0.101 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.334 1 O4'-C1'-N19 114.914 6.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C3'-C2'-C1' 104.401 3.224 . 0.188 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' ' C' . . . . . 0.53 " H5'" ' C6 ' ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.856 1 C3'-C2'-C1' 106.419 5.466 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . 0.43 ' H62' HG22 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 O3'-P-O5' 97.314 -3.519 . 0.01 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 C5'-C4'-O4' 114.018 3.442 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.42 ' C ' HD12 ' A' ' 3' ' ' ILE . 4.5 mt -140.19 152.31 45.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.42 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.4 mp -133.81 146.21 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -147.17 169.62 18.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.787 0.835 . . . . 0.0 109.877 -175.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -135.54 98.39 3.93 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 171.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.41 162.6 13.09 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.032 1.333 . . . . 0.0 108.854 -177.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -125.11 169.27 12.35 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 119.805 1.184 . . . . 0.0 111.572 174.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.446 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.2 m -59.39 135.4 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.02 -170.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.14 0.77 65.42 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.208 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -105.97 -179.57 3.98 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.836 0.818 . . . . 0.0 110.294 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -145.38 173.54 11.91 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -172.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.3 mt -152.36 158.16 4.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 127.211 2.204 . . . . 0.0 106.393 -173.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -136.15 157.81 45.91 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 118.731 0.696 . . . . 0.0 111.719 -175.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.9 mt -140.02 144.23 28.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 124.539 1.136 . . . . 0.0 108.792 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.05 -136.84 37.89 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.284 -1.127 . . . . 0.0 110.284 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -130.13 10.14 5.35 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.087 0.555 . . . . 0.0 110.262 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -141.88 10.93 2.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.115 0.566 . . . . 0.0 112.32 -176.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.08 146.45 34.08 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 CA-C-N 119.009 0.822 . . . . 0.0 110.446 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.3 m -138.63 156.02 47.8 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.761 0.824 . . . . 0.0 109.193 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 mm -136.51 145.89 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.654 1.182 . . . . 0.0 108.112 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.5 m -142.72 147.1 35.07 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.556 0.217 . . . . 0.0 110.416 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.429 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 tp -105.91 92.72 2.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.41 -33.34 75.32 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.14 -0.35 . . . . 0.0 111.051 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.446 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.88 -171.38 38.66 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.636 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 m -133.58 160.59 42.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 CA-C-O 120.818 0.342 . . . . 0.0 111.428 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.7 p -150.69 89.41 1.55 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.98 -121.57 9.36 Favored Glycine 0 C--N 1.338 0.686 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -175.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -88.36 -19.03 27.18 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 117.707 0.754 . . . . 0.0 109.713 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.69 146.11 51.83 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.6 t -137.54 118.25 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -79.92 119.46 22.81 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -126.46 152.98 34.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.22 156.35 22.34 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.7 mt -140.3 144.24 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -175.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -140.89 108.06 5.48 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.53 158.01 38.27 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 123.609 0.764 . . . . 0.0 109.792 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.68 158.33 50.97 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 123.274 2.649 . . . . 0.0 110.738 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -69.06 -0.82 6.28 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-O 121.228 0.537 . . . . 0.0 110.205 173.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.78 -10.27 45.75 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.803 1.241 . . . . 0.0 110.938 173.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -138.66 167.91 20.33 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 C-N-CA 123.8 0.84 . . . . 0.0 109.399 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.15 153.61 22.91 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.685 0.279 . . . . 0.0 110.641 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.17 129.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -155.59 170.49 21.87 Favored 'General case' 0 C--N 1.335 -0.046 0 C-N-CA 123.623 0.769 . . . . 0.0 109.433 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -77.05 164.59 25.58 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 173.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -59.15 -20.67 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -70.84 -48.3 54.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.024 -0.423 . . . . 0.0 111.223 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.4 mm -77.78 -24.92 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.094 0 CA-C-O 120.629 0.252 . . . . 0.0 110.341 -173.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 84.3 t80 -61.24 -28.48 69.2 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.108 0.563 . . . . 0.0 112.067 -177.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -72.78 -21.4 61.0 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.638 0.375 . . . . 0.0 112.009 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -76.64 -18.81 58.38 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.2 mt -99.78 -46.4 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.538 -172.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.519 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 72.6 mm-40 -70.4 3.29 3.07 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -15.57 63.59 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 122.782 0.433 . . . . 0.0 111.102 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.03 19.11 0.08 OUTLIER Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.225 -0.764 . . . . 0.0 114.097 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -158.82 -175.77 5.49 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.888 1.344 . . . . 0.0 113.151 -170.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.7 p -145.19 9.95 1.28 Allowed 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 125.033 1.333 . . . . 0.0 110.131 172.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.76 124.12 4.66 Favored Pre-proline 0 N--CA 1.452 -0.349 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.96 173.57 0.07 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 124.709 3.606 . . . . 0.0 114.676 174.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 CA--C 1.53 0.191 0 C-N-CA 124.124 0.97 . . . . 0.0 112.27 -178.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C5'-C4'-C3' 110.049 -3.634 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 C5'-C4'-C3' 111.203 -2.865 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ' A' . . . . . 0.508 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.88 0 O4'-C1'-N19 111.123 2.923 . 0.084 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.508 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.977 0 C3'-C2'-C1' 103.886 2.651 . 0.041 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 2 O4'-C1'-N19 114.604 6.404 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 C5'-C4'-C3' 110.286 -3.476 . 0.133 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.799 1 O4'-C1'-N19 112.521 4.321 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . 0.426 " H1'" ' C6 ' ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 O4'-C1'-N19 110.429 2.229 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . 0.426 ' C6 ' " H1'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C5'-C4'-C3' 111.125 -2.916 . 0.445 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.4 tpt . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mt -137.71 154.23 49.67 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -136.36 147.4 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -144.6 165.3 28.41 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.079 0.952 . . . . 0.0 109.335 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.65 95.94 4.12 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 172.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 3.7 tpm_? -101.59 162.47 12.88 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.848 1.259 . . . . 0.0 108.183 -177.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -128.46 167.45 17.04 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 119.19 0.904 . . . . 0.0 110.951 174.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.433 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.5 m -55.4 130.54 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.307 -170.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.85 -2.2 56.89 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.659 176.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -107.95 -179.29 3.85 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.174 0.987 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 32.5 m -142.24 168.78 18.92 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 73.6 mt -140.93 163.72 21.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 126.758 2.023 . . . . 0.0 106.508 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -138.93 154.09 48.31 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 119.053 0.842 . . . . 0.0 112.099 -175.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mt -141.44 147.65 21.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 123.83 0.852 . . . . 0.0 108.892 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.0 -139.34 33.34 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -130.21 10.76 5.39 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.222 0.609 . . . . 0.0 110.052 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -141.37 11.01 2.11 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.317 0.647 . . . . 0.0 111.555 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.7 144.43 38.09 Favored 'Isoleucine or valine' 0 C--N 1.343 0.288 0 CA-C-N 118.844 0.747 . . . . 0.0 110.914 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 52.9 m -141.05 155.43 46.16 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.469 1.108 . . . . 0.0 108.063 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -133.55 147.77 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 10.0 m -140.79 145.67 36.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.862 0.363 . . . . 0.0 110.24 -176.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.416 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.2 tp -106.14 92.3 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.09 -26.2 66.6 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -171.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.433 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 159.57 -172.07 36.11 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 118.118 0.417 . . . . 0.0 112.309 177.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -133.14 160.36 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.087 0 CA-C-N 117.281 0.541 . . . . 0.0 111.403 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.5 t -150.9 89.43 1.54 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.63 -132.84 29.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 109.374 -1.491 . . . . 0.0 109.374 -174.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -77.12 -20.61 55.41 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 117.642 0.721 . . . . 0.0 109.332 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.67 147.13 51.01 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 176.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 89.7 t -137.27 123.23 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -85.75 127.77 34.62 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 mt -134.97 154.9 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -170.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.48 157.35 22.02 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.9 mt -139.95 135.0 37.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -134.44 98.26 4.04 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.246 0.546 . . . . 0.0 109.838 -174.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.26 155.21 50.39 Favored Pre-proline 0 N--CA 1.447 -0.6 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.73 154.13 62.74 Favored 'Trans proline' 0 N--CA 1.443 -1.492 0 C-N-CA 121.958 1.772 . . . . 0.0 109.333 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -63.64 -6.03 4.84 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 121.626 0.727 . . . . 0.0 110.057 175.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -63.23 -10.78 17.12 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 126.119 1.768 . . . . 0.0 112.041 175.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 m -134.15 158.43 42.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.73 142.96 29.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.492 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.418 ' CG2' HD12 ' A' ' 2' ' ' LEU . 4.7 m -147.63 135.13 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 172.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -155.12 165.13 37.66 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -67.16 157.68 33.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 172.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -64.24 -8.92 14.23 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.7 -48.75 53.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.929 -0.482 . . . . 0.0 110.714 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.3 mm -78.51 -24.86 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-O 120.649 0.262 . . . . 0.0 110.544 -173.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.492 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 79.9 t80 -61.62 -28.69 69.55 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -76.13 -21.08 57.02 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.447 0.299 . . . . 0.0 111.512 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -78.26 -18.07 55.83 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -99.52 -46.1 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 C-N-CA 122.662 0.385 . . . . 0.0 110.441 -173.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.492 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 80.3 mm-40 -70.06 3.17 2.91 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -11.9 56.07 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.857 0.463 . . . . 0.0 111.803 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.23 16.28 0.08 OUTLIER Glycine 0 C--N 1.341 0.861 0 CA-C-O 119.446 -0.641 . . . . 0.0 113.812 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -155.72 -164.75 1.8 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.397 1.098 . . . . 0.0 111.257 -172.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 21.8 m -134.86 -18.0 1.88 Allowed 'General case' 0 C--N 1.341 0.231 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.708 ' H ' ' CD ' ' C' ' 58' ' ' PRO . . . -163.04 -34.8 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . 0.708 ' CD ' ' H ' ' C' ' 57' ' ' ALA . 53.5 Cg_exo -56.33 149.4 55.88 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 122.965 2.443 . . . . 0.0 112.625 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 CA--C 1.538 0.5 0 C-N-CA 124.717 1.207 . . . . 0.0 112.89 175.522 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 O4'-C1'-N19 111.177 2.977 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . 0.434 " H3'" ' C8 ' ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.085 0 C5'-C4'-C3' 110.041 -3.639 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' ' A' . . . . . 0.487 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 O4'-C1'-N19 112.071 3.871 . 0.233 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' ' G' . . . . . 0.487 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 C3'-C2'-C1' 103.961 2.735 . 0.087 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 1 O4'-C1'-N19 113.182 4.982 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 C5'-C4'-C3' 110.353 -3.431 . 0.105 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' ' C' . . . . . 0.44 " H1'" ' C8 ' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.887 1 N19-C1'-C2' 106.481 -4.324 . 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . 0.626 ' C5 ' " H1'" ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.47 1 C5'-C4'-C3' 108.729 -4.514 . 0.082 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . 0.626 " H1'" ' C5 ' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.66 2 C5'-C4'-C3' 107.208 -5.528 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.415 -0.326 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mt -137.98 153.58 49.43 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.406 ' CD1' " H4'" ' B' ' 42' ' ' ' C' . 4.4 mp -136.17 145.83 30.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -146.46 166.58 25.97 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.013 0.925 . . . . 0.0 109.357 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m -134.64 94.44 3.19 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -104.38 162.61 13.07 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.9 1.28 . . . . 0.0 108.722 -175.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -124.23 169.27 11.91 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 119.812 1.187 . . . . 0.0 111.781 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.461 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 6.2 m -58.73 131.77 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.968 -170.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.14 -1.79 57.71 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.106 177.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -104.22 179.6 4.22 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.592 0.696 . . . . 0.0 110.162 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.6 m -143.16 168.26 20.17 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -173.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.0 mt -143.16 164.94 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -139.47 155.33 47.64 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.828 0.74 . . . . 0.0 111.823 -176.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.9 mt -141.92 149.01 20.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.02 -140.27 35.45 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -129.24 10.29 5.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.652 0.781 . . . . 0.0 109.663 177.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -144.27 11.94 1.54 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.53 0.732 . . . . 0.0 111.7 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.63 146.78 33.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 CA-C-N 118.951 0.796 . . . . 0.0 110.509 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.7 m -141.08 155.4 46.15 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 mm -135.03 147.86 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -142.97 145.5 33.04 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.429 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.0 OUTLIER -105.8 91.89 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.2 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.414 HD13 " H1'" ' D' ' 42' ' ' ' C' . 16.5 mt -66.28 -27.85 68.25 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -172.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.461 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.97 -173.42 36.64 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 118.181 0.446 . . . . 0.0 113.01 178.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -135.98 161.91 37.25 Favored 'Isoleucine or valine' 0 C--N 1.339 0.149 0 CA-C-O 120.805 0.336 . . . . 0.0 111.456 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -150.07 89.46 1.6 Allowed 'General case' 0 CA--C 1.523 -0.088 0 C-N-CA 124.178 0.991 . . . . 0.0 108.732 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.85 -102.54 1.33 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -106.8 -18.07 14.04 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -70.29 150.6 46.21 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -138.61 118.34 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -88.21 124.16 33.57 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -130.09 154.56 40.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -170.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.49 156.77 22.02 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -140.58 145.43 25.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -176.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -140.8 107.24 5.28 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -177.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.13 156.76 43.45 Favored Pre-proline 0 N--CA 1.454 -0.226 0 C-N-CA 123.097 0.559 . . . . 0.0 110.384 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.87 157.06 58.64 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 123.445 2.763 . . . . 0.0 111.061 175.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 38' ' ' LYS . 8.8 mmmm -72.61 -0.78 13.84 Favored 'General case' 0 N--CA 1.46 0.055 0 CA-C-O 120.764 0.316 . . . . 0.0 110.751 175.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.24 -8.16 47.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.97 0.908 . . . . 0.0 110.389 171.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m -139.23 169.1 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.322 1.049 . . . . 0.0 109.041 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.22 162.54 18.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.114 -0.367 . . . . 0.0 111.186 -174.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 p -156.9 127.11 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 123.47 0.708 . . . . 0.0 109.356 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -154.68 173.33 16.54 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 122.629 0.372 . . . . 0.0 110.785 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -72.11 155.87 39.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 169.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -19.6 17.38 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -178.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -63.94 -48.73 75.37 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.434 0.561 . . . . 0.0 110.146 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.0 mm -77.67 -26.93 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.208 -174.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.528 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 72.5 t80 -67.12 -31.28 71.63 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.848 0.459 . . . . 0.0 111.279 -177.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -71.22 -21.42 62.13 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.876 0.47 . . . . 0.0 111.174 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -80.84 -18.06 48.68 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 123.079 0.552 . . . . 0.0 110.137 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.8 mt -99.13 -45.7 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 122.369 0.268 . . . . 0.0 110.35 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.528 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 83.1 mm-40 -71.77 2.96 4.58 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.925 -0.484 . . . . 0.0 112.107 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.61 -15.32 63.36 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.625 0.37 . . . . 0.0 111.478 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.88 16.74 0.05 OUTLIER Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.289 -0.728 . . . . 0.0 114.105 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -157.16 -171.31 3.58 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.476 1.138 . . . . 0.0 112.048 -171.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.8 m -143.7 2.69 1.23 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 122.934 0.493 . . . . 0.0 110.389 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.39 81.69 6.57 Favored Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 122.975 0.51 . . . . 0.0 110.081 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -52.0 176.51 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 124.822 3.682 . . . . 0.0 114.547 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 CA--C 1.533 0.309 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.624 179.817 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 C5'-C4'-C3' 110.364 -3.424 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C5'-C4'-C3' 111.248 -2.835 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ' A' . . . . . 0.534 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.987 0 O4'-C1'-N19 111.441 3.241 . 0.017 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.534 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.034 0 C3'-C2'-C1' 103.573 2.304 . 0.101 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 1 O4'-C1'-N19 113.479 5.279 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C5'-C4'-C3' 110.215 -3.523 . 0.091 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ' C' . . . . . 0.589 " H3'" H5'' ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 O4'-C1'-N19 112.199 3.999 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . 0.589 H5'' " H3'" ' B' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.407 -3.821 0 C4'-C3'-C2' 99.145 -3.555 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . 0.517 ' C6 ' " O4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 O4'-C1'-N19 111.798 3.598 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 119.429 -0.319 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.445 ' HG ' " O4'" ' D' ' 40' ' ' ' G' . 0.8 OUTLIER -138.3 155.95 48.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 175.508 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.425 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 4.9 mp -135.28 148.57 28.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 85.5 mt -146.65 171.07 15.68 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.05 0.94 . . . . 0.0 110.023 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -139.56 106.23 5.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.102 0.477 . . . . 0.0 110.29 170.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.72 177.73 4.76 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.531 1.133 . . . . 0.0 109.367 176.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -132.7 170.44 15.23 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 110.455 169.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.449 ' HA ' HG13 ' C' ' 22' ' ' ILE . 10.6 m -57.3 133.9 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-O 121.059 0.457 . . . . 0.0 112.05 -172.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.93 -2.39 59.99 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.285 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -104.55 -178.62 3.71 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.824 0.812 . . . . 0.0 111.539 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 12.5 p -147.07 169.45 19.23 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -176.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 mm -139.81 164.47 23.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 127.245 2.218 . . . . 0.0 106.851 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -136.58 153.63 50.91 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.789 -0.569 . . . . 0.0 111.485 -174.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 39.3 mt -142.62 147.4 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.61 0.764 . . . . 0.0 109.139 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.17 -139.27 41.49 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -129.91 10.07 5.44 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.313 0.645 . . . . 0.0 110.108 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -143.97 11.42 1.59 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.555 0.742 . . . . 0.0 111.967 -177.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.29 144.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 CA-C-N 119.013 0.824 . . . . 0.0 110.487 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 88.8 m -141.26 155.68 45.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.961 0.904 . . . . 0.0 108.864 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.5 mm -133.68 145.41 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.0 m -139.42 145.51 38.98 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.449 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.4 tp -105.9 95.18 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.454 HD22 ' C2 ' ' B' ' 42' ' ' ' C' . 12.6 mt -66.25 -29.03 69.19 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -173.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.433 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.66 -171.25 35.35 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.7 m -133.26 161.82 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-O 121.374 0.606 . . . . 0.0 111.504 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 34.4 t -151.17 89.68 1.54 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.01 -132.07 25.84 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 108.961 -1.656 . . . . 0.0 108.961 -174.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -79.12 -17.45 55.07 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 117.729 0.765 . . . . 0.0 109.755 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.65 146.38 50.02 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -137.5 118.87 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 106.077 -1.824 . . . . 0.0 106.077 -177.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -87.47 126.12 34.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -131.17 155.35 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -170.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.75 155.85 21.4 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.37 143.02 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -140.15 105.94 5.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.79 156.89 41.24 Favored Pre-proline 0 N--CA 1.451 -0.419 0 C-N-CA 123.782 0.833 . . . . 0.0 109.527 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.48 159.19 45.57 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.276 2.651 . . . . 0.0 110.761 175.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . 0.423 ' HA ' ' HD2' ' C' ' 38' ' ' LYS . 10.8 mmmm -70.27 -0.53 8.18 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-O 121.177 0.513 . . . . 0.0 110.434 172.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -67.02 -11.56 57.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.899 1.279 . . . . 0.0 110.655 173.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 m -138.85 168.09 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 123.958 0.903 . . . . 0.0 109.769 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.81 157.96 17.35 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.614 0.245 . . . . 0.0 110.769 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -157.52 128.81 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.23 0.066 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 173.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -155.18 171.05 20.44 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.474 0.71 . . . . 0.0 109.617 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -75.69 165.27 25.31 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 173.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -59.98 -20.92 60.24 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -175.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -70.13 -49.62 48.78 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 122.075 -0.391 . . . . 0.0 111.472 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 18.4 mm -76.77 -25.54 15.92 Favored 'Isoleucine or valine' 0 C--N 1.337 0.063 0 CA-C-O 120.961 0.41 . . . . 0.0 110.696 -173.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.461 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 87.1 t80 -60.63 -31.06 70.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.703 0.401 . . . . 0.0 111.326 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.24 -21.69 62.97 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.628 0.371 . . . . 0.0 111.809 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -80.66 -20.17 43.66 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 75.1 mt -99.41 -29.64 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 123.551 0.741 . . . . 0.0 110.842 -173.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.461 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 70.3 mm-40 -87.59 4.67 42.84 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 175.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.47 -13.71 22.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.82 29.09 0.53 Allowed Glycine 0 C--N 1.342 0.877 0 CA-C-O 119.386 -0.675 . . . . 0.0 112.874 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.22 -22.74 0.11 Allowed 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -168.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.4 m 41.53 34.81 0.4 Allowed 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -172.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.61 124.93 4.22 Favored Pre-proline 0 CA--C 1.532 0.272 0 O-C-N 121.922 -0.486 . . . . 0.0 109.926 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -52.98 177.05 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 124.55 3.5 . . . . 0.0 114.016 174.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--O 1.232 0.136 0 C-N-CA 123.831 0.853 . . . . 0.0 112.135 179.659 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . 0.435 " H4'" ' C5 ' ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C5'-C4'-C3' 110.421 -3.386 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . 0.435 ' C5 ' " H4'" ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.316 1 C5'-C4'-C3' 109.165 -4.223 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 O4'-C1'-N19 111.065 2.865 . 0.048 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 39' ' ' ' G' . . . . . 0.452 " H1'" ' C6 ' ' D' ' 41' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.405 -4.01 1 C4'-C3'-C2' 96.399 -6.301 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . 0.445 " O4'" ' HG ' ' C' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.418 -2.923 1 O4'-C1'-N19 113.04 4.84 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 41' ' ' ' A' . . . . . 0.452 ' C6 ' " H1'" ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 C5'-C4'-C3' 110.589 -3.274 . 0.24 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 42' ' ' ' C' . . . . . 0.425 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.647 3.447 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . 0.412 ' C8 ' " H3'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.411 -3.482 0 O3'-P-O5' 99.163 -2.546 . 0.101 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . 0.408 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 C4'-C3'-C2' 99.454 -3.246 . 0.011 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 tpt . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.402 ' C ' HD12 ' A' ' 3' ' ' ILE . 5.3 mt -137.64 151.58 48.44 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.402 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.6 mp -134.71 144.45 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.9 mt -147.84 166.05 28.74 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 123.812 0.845 . . . . 0.0 109.797 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -133.83 96.39 3.66 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-O 121.201 0.524 . . . . 0.0 109.957 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -93.01 179.45 5.44 Favored 'General case' 0 C--N 1.335 -0.064 0 C-N-CA 125.013 1.325 . . . . 0.0 109.218 177.751 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -136.08 172.32 13.19 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 168.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.425 ' HA ' HG13 ' A' ' 22' ' ' ILE . 11.7 m -59.72 135.09 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-O 121.078 0.466 . . . . 0.0 111.834 -172.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.64 -1.28 61.67 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.301 178.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -102.08 -179.67 4.06 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 117.968 0.884 . . . . 0.0 110.878 -178.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 m -144.7 168.79 19.34 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -173.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.406 HD11 ' HD2' ' A' ' 6' ' ' ARG . 36.8 mm -142.87 164.4 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 126.014 1.726 . . . . 0.0 106.887 178.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -138.57 153.88 48.7 Favored 'General case' 0 C--O 1.23 0.078 0 O-C-N 121.422 -0.799 . . . . 0.0 111.564 -176.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.9 mt -141.07 146.83 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.0 -138.06 35.64 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -130.11 10.56 5.41 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.096 0.558 . . . . 0.0 109.744 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -142.42 11.83 1.92 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.609 0.764 . . . . 0.0 111.784 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.98 143.94 39.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 CA-C-N 118.707 0.685 . . . . 0.0 110.272 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 m -141.18 155.85 46.01 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.3 mm -135.37 148.43 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -178.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.4 m -142.32 146.85 35.47 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.425 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 tp -105.57 93.56 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.412 HD22 ' C2 ' ' D' ' 42' ' ' ' C' . 13.3 mt -63.4 -30.92 71.97 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -174.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.416 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.17 -170.17 34.9 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.1 m -128.93 161.51 38.03 Favored 'Isoleucine or valine' 0 C--O 1.23 0.062 0 CA-C-O 121.242 0.544 . . . . 0.0 111.165 178.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -150.21 89.3 1.57 Allowed 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.86 -139.97 35.62 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -173.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -71.33 -15.84 62.42 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 117.826 0.813 . . . . 0.0 110.064 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.44 149.79 38.45 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.5 t -135.19 124.25 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -177.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.1 ttm105 -94.02 125.05 38.42 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -132.23 155.35 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.619 -168.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.83 156.47 21.44 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.3 mt -140.62 142.24 30.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -176.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -140.14 106.27 5.23 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.11 156.01 43.5 Favored Pre-proline 0 N--CA 1.453 -0.286 0 C-N-CA 123.738 0.815 . . . . 0.0 109.92 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.7 159.0 47.41 Favored 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 123.202 2.602 . . . . 0.0 111.129 176.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -72.41 -0.85 13.6 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 122.674 0.39 . . . . 0.0 110.443 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -72.39 -6.26 42.21 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 124.263 1.025 . . . . 0.0 110.814 173.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m -138.03 168.77 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.612 0.765 . . . . 0.0 109.478 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.74 155.81 21.95 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.871 0.367 . . . . 0.0 111.348 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.24 128.64 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -154.4 172.74 17.24 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.343 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -69.55 154.13 42.45 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -58.72 -22.57 57.89 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.549 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -67.97 -46.41 71.46 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.462 0.705 . . . . 0.0 111.144 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.5 mm -78.09 -28.51 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 122.253 0.221 . . . . 0.0 110.488 -174.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.509 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 82.6 t80 -59.37 -28.77 67.17 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.155 0.582 . . . . 0.0 111.614 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -71.03 -21.43 62.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.694 0.398 . . . . 0.0 111.864 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -80.4 -19.18 46.83 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 122.947 0.499 . . . . 0.0 110.061 177.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.0 mt -98.5 -33.02 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.722 0.809 . . . . 0.0 110.104 -173.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.509 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 76.0 mm-40 -84.78 3.59 36.91 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 122.32 -0.238 . . . . 0.0 111.019 174.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.0 -19.78 64.68 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.81 0.444 . . . . 0.0 112.187 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.7 27.36 0.07 OUTLIER Glycine 0 C--N 1.339 0.75 0 CA-C-O 119.112 -0.827 . . . . 0.0 113.869 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 56' ' ' THR . 0.6 OUTLIER -149.45 -36.75 0.16 Allowed 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.896 1.348 . . . . 0.0 114.474 -173.373 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.414 ' N ' HD12 ' A' ' 55' ' ' LEU . 2.9 m 38.58 28.25 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.769 1.227 . . . . 0.0 113.618 -171.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.76 66.38 4.02 Favored Pre-proline 0 CA--C 1.532 0.268 0 O-C-N 121.798 -0.564 . . . . 0.0 111.079 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.82 176.08 0.08 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 124.276 3.317 . . . . 0.0 114.079 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 CA--C 1.53 0.199 0 C-N-CA 123.637 0.775 . . . . 0.0 112.051 178.354 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . 0.413 H5'' ' C6 ' ' B' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C5'-C4'-C3' 111.53 -2.647 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 1 C5'-C4'-C3' 109.236 -4.176 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ' A' . . . . . 0.496 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.788 1 O4'-C1'-N19 112.475 4.275 . 0.142 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.496 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C3'-C2'-C1' 103.814 2.571 . 0.081 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 2 O4'-C1'-N19 115.31 7.11 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 C5'-C4'-C3' 109.759 -3.827 . 0.114 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 1 O4'-C1'-N19 112.492 4.292 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 O4'-C1'-N19 110.259 2.059 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C5'-C4'-C3' 111.023 -2.985 . 0.425 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.2 tpt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.417 -0.325 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mt -134.89 154.03 51.83 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.297 0.499 . . . . 0.0 110.014 176.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.421 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 4.6 mp -134.47 148.72 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 76.2 mt -145.86 165.27 29.4 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.824 0.849 . . . . 0.0 110.542 -173.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.61 96.26 2.95 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.415 ' HD2' HD11 ' C' ' 12' ' ' ILE . 1.3 mtp180 -106.81 168.9 8.87 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 124.498 1.119 . . . . 0.0 111.207 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -110.58 166.0 11.35 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -64.68 135.82 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 120.034 -0.667 . . . . 0.0 110.345 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.48 5.91 64.74 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.527 -0.596 . . . . 0.0 112.196 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -109.83 178.27 4.47 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.095 0.948 . . . . 0.0 111.034 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.5 m -143.61 168.11 20.66 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -171.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.415 HD11 ' HD2' ' C' ' 6' ' ' ARG . 39.8 mm -144.06 163.26 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 127.059 2.143 . . . . 0.0 107.089 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -135.15 155.92 49.87 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 118.732 0.696 . . . . 0.0 112.318 -176.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 43.2 mt -142.97 146.81 21.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.638 1.175 . . . . 0.0 109.115 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.8 -140.86 33.53 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 -178.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -130.19 10.5 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.455 0.702 . . . . 0.0 110.421 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -141.09 11.92 2.2 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.703 0.801 . . . . 0.0 111.947 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -128.81 144.16 38.94 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 CA-C-N 118.971 0.805 . . . . 0.0 111.029 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 42.7 m -140.7 156.14 46.29 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -133.32 145.75 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 53.3 m -142.24 146.06 34.75 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -105.46 99.21 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -67.61 -28.27 67.6 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -174.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.41 -172.84 34.23 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-N 117.944 0.338 . . . . 0.0 112.543 175.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -134.17 161.33 40.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.888 0.344 . . . . 0.0 111.366 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -150.34 89.74 1.6 Allowed 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.6 -102.29 1.49 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 109.786 -1.325 . . . . 0.0 109.786 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -107.06 -19.08 13.73 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 117.27 0.535 . . . . 0.0 109.73 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -68.1 149.72 49.28 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -139.66 110.28 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -84.47 124.65 31.59 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mt -127.05 155.04 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -171.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.07 154.51 19.87 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 177.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.9 mt -140.33 136.96 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -133.33 98.56 4.27 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 121.292 0.567 . . . . 0.0 110.037 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.86 153.22 57.22 Favored Pre-proline 0 N--CA 1.449 -0.479 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.058 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.9 152.77 77.21 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 122.28 1.987 . . . . 0.0 109.823 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -7.39 12.11 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-O 121.587 0.708 . . . . 0.0 111.017 177.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.46 -9.57 19.43 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.528 1.531 . . . . 0.0 112.193 174.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.38 167.94 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.68 155.12 18.52 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.813 -175.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -160.37 131.12 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 172.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -155.45 170.94 20.78 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.04 0.536 . . . . 0.0 110.427 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -73.06 157.48 37.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 170.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -21.76 63.87 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 119.812 -0.755 . . . . 0.0 111.337 177.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.49 -28.53 69.26 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 122.192 -0.318 . . . . 0.0 110.362 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 14.4 mm -99.46 -31.84 3.58 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.101 0 C-N-CA 122.609 0.364 . . . . 0.0 110.111 -176.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -62.48 -33.39 74.76 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.346 0.259 . . . . 0.0 111.178 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -64.37 -18.26 64.5 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.579 1.151 . . . . 0.0 112.478 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -86.5 -13.95 44.51 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.195 0.598 . . . . 0.0 112.289 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 85.1 mt -100.47 -63.64 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -168.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.19 2.44 0.36 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.49 -16.06 63.84 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -175.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.44 18.53 0.07 OUTLIER Glycine 0 CA--C 1.527 0.831 0 CA-C-N 118.301 0.501 . . . . 0.0 113.393 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.96 -28.6 0.24 Allowed 'General case' 0 C--O 1.227 -0.085 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -172.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 2.1 m 40.53 31.68 0.12 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.581 1.152 . . . . 0.0 113.165 -174.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.5 106.57 2.38 Favored Pre-proline 0 N--CA 1.451 -0.389 0 C-N-CA 123.258 0.623 . . . . 0.0 109.897 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.32 177.6 0.05 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 124.787 3.658 . . . . 0.0 114.43 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 124.249 1.02 . . . . 0.0 112.189 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 2 C4'-C3'-C2' 97.643 -5.057 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 0 O5'-C5'-C4' 113.392 2.28 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 38' ' ' ' A' . . . . . 0.503 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 P-O3'-C3' 122.503 2.336 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 39' ' ' ' G' . . . . . 0.503 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 P-O3'-C3' 122.612 2.427 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 1 O4'-C1'-N19 112.797 4.597 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 0 C5'-C4'-C3' 109.941 -3.706 . 0.043 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 42' ' ' ' C' . . . . . 0.499 " H3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.024 0 O4'-C1'-N19 111.833 3.633 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . 0.517 " O4'" ' C6 ' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.408 -3.741 0 C4'-C3'-C2' 100.092 -2.608 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . 0.517 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C5'-C4'-C3' 110.664 -3.224 . 0.215 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 tpt . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 119.5 -0.286 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 3' ' ' ILE . 5.1 mt -140.54 153.62 46.22 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 122.858 0.463 . . . . 0.0 110.132 175.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.415 HD12 ' C ' ' A' ' 2' ' ' LEU . 4.5 mp -137.48 147.14 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.6 mt -144.25 167.27 22.82 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.263 1.025 . . . . 0.0 109.549 -176.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -134.14 99.28 4.36 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.409 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -103.52 177.71 4.76 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.41 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -133.47 169.4 17.02 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 172.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.434 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.9 m -57.45 132.96 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-O 121.257 0.551 . . . . 0.0 111.977 -172.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.43 -12.11 59.89 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.659 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -87.84 -178.62 6.08 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 117.84 0.82 . . . . 0.0 111.331 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -145.45 167.63 22.49 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.341 0.591 . . . . 0.0 111.654 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -141.08 164.47 20.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 125.503 1.521 . . . . 0.0 106.936 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -138.66 153.7 48.59 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 118.833 0.742 . . . . 0.0 111.883 -176.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.6 mt -141.26 148.22 21.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.85 -141.08 33.28 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -130.21 10.73 5.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.193 0.597 . . . . 0.0 110.4 175.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -138.39 11.21 2.76 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.126 0.97 . . . . 0.0 111.625 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.67 144.68 37.26 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-N 119.154 0.888 . . . . 0.0 110.941 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.7 m -140.15 155.75 46.84 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.2 mm -134.3 149.12 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.6 m -140.66 146.47 37.91 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.431 HG13 ' HA ' ' A' ' 8' ' ' VAL . 2.0 tp -105.5 95.88 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.455 HD22 ' C2 ' ' D' ' 42' ' ' ' C' . 10.7 mt -66.91 -28.79 68.59 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.151 -0.343 . . . . 0.0 111.481 -175.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.434 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.33 -171.06 35.13 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-N 118.082 0.401 . . . . 0.0 112.902 176.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -136.33 163.58 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 117.097 0.448 . . . . 0.0 111.434 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.7 t -152.03 89.67 1.47 Allowed 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.905 0.882 . . . . 0.0 108.966 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.4 -88.41 0.81 Allowed Glycine 0 C--N 1.338 0.672 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -118.98 -20.1 8.24 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 122.678 0.391 . . . . 0.0 109.958 174.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -71.72 149.72 45.17 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.5 t -137.19 110.74 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -81.36 125.63 30.61 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 mt -126.99 155.24 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -172.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.09 154.46 19.86 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -140.24 140.11 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -175.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -139.69 104.6 4.95 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -175.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.11 154.67 50.6 Favored Pre-proline 0 N--CA 1.448 -0.528 0 C-N-CA 124.087 0.955 . . . . 0.0 108.627 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -60.87 153.64 61.79 Favored 'Trans proline' 0 N--CA 1.444 -1.434 0 C-N-CA 122.292 1.995 . . . . 0.0 110.249 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -65.45 -5.01 6.59 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.944 0.402 . . . . 0.0 110.244 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -73.6 -7.97 54.09 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.05 1.74 . . . . 0.0 112.678 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.4 m -132.65 168.59 23.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.54 153.94 20.54 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.804 0.335 . . . . 0.0 111.541 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -157.15 128.24 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 174.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -155.46 173.05 17.23 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.952 0.501 . . . . 0.0 110.361 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 74.9 ttt180 -68.63 156.17 38.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 173.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -58.87 -22.96 60.25 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.673 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.41 ' H ' ' HG2' ' A' ' 44' ' ' ARG . 18.3 tp10 -67.65 -49.03 64.95 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.148 0.579 . . . . 0.0 110.752 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 mm -76.85 -24.87 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 122.385 0.274 . . . . 0.0 110.334 -173.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.506 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 83.3 t80 -61.44 -28.88 69.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 123.018 0.527 . . . . 0.0 111.577 -178.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -72.84 -21.76 60.9 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.663 0.385 . . . . 0.0 111.708 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -76.68 -19.61 57.54 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.4 mt -99.22 -45.39 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 122.909 0.483 . . . . 0.0 110.666 -172.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.506 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 72.3 mm-40 -70.45 3.09 3.24 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 122.092 -0.38 . . . . 0.0 111.588 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.41 -16.9 64.45 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 122.756 0.423 . . . . 0.0 111.18 174.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.19 18.67 0.07 OUTLIER Glycine 0 CA--C 1.528 0.882 0 CA-C-O 119.086 -0.841 . . . . 0.0 114.371 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -158.17 -178.3 7.19 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.998 1.399 . . . . 0.0 113.13 -170.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -147.4 6.98 0.86 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.301 1.041 . . . . 0.0 110.328 173.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.22 79.48 5.56 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 123.067 0.547 . . . . 0.0 109.997 -178.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.83 172.7 0.09 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 124.563 3.508 . . . . 0.0 114.652 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.53 0.184 0 C-N-CA 123.925 0.89 . . . . 0.0 112.94 -177.012 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C5'-C4'-C3' 110.933 -3.045 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.876 0 C5'-C4'-C3' 111.41 -2.727 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ' A' . . . . . 0.417 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 O4'-C1'-N19 110.921 2.721 . 0.105 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.417 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.89 0 C5'-C4'-C3' 112.453 -2.031 . 0.044 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 1 O4'-C1'-N19 113.191 4.991 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.319 0 C5'-C4'-C3' 110.211 -3.526 . 0.132 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ' C' . . . . . 0.445 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.421 -2.7 1 O4'-C1'-N19 112.419 4.219 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . 0.687 ' C5 ' " H1'" ' B' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 N19-C1'-C2' 118.274 3.046 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . 0.687 " H1'" ' C5 ' ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.927 1 C5'-C4'-C3' 107.495 -5.337 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 19.0 tpt . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 119.493 -0.289 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mt -140.41 154.52 46.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.02 136.93 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.51 HD13 ' C2 ' ' D' ' 38' ' ' ' A' . 4.5 mm? -131.83 164.81 25.23 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 125.321 1.448 . . . . 0.0 109.252 -173.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.5 m -138.54 98.64 3.63 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 171.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -104.69 162.93 12.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.816 1.246 . . . . 0.0 108.695 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -124.46 168.54 12.92 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 119.365 0.984 . . . . 0.0 110.598 172.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.457 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.1 m -58.39 127.09 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.06 -170.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.22 3.08 54.28 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.41 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -115.26 177.03 4.81 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.19 0.995 . . . . 0.0 110.337 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 51.8 m -141.64 168.77 18.96 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -169.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 51.5 mt -141.81 165.15 18.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 126.193 1.797 . . . . 0.0 106.966 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -139.06 156.46 47.16 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 119.054 0.843 . . . . 0.0 112.3 -176.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 52.9 mt -140.99 150.86 20.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 124.083 0.953 . . . . 0.0 108.771 177.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.76 -140.0 34.98 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -129.48 10.41 5.68 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.84 0.856 . . . . 0.0 109.853 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -144.12 11.42 1.55 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.425 0.69 . . . . 0.0 111.839 -176.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.07 146.74 33.15 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 CA-C-N 118.865 0.757 . . . . 0.0 110.569 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -141.15 154.72 46.02 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.751 0.82 . . . . 0.0 108.93 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.4 145.54 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 31.8 m -143.29 146.44 33.59 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 121.018 0.437 . . . . 0.0 110.038 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.18 97.97 6.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 177.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.445 HD22 ' C2 ' ' B' ' 42' ' ' ' C' . 10.4 mt -68.04 -33.91 75.47 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.743 -174.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.457 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 165.32 -176.19 41.0 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.298 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.2 161.14 41.22 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 121.192 0.52 . . . . 0.0 111.201 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 19.0 p -151.52 89.46 1.49 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.863 0.865 . . . . 0.0 109.074 175.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.54 -99.28 1.46 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -112.4 -17.86 12.6 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -70.34 148.68 48.18 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -137.53 116.9 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.87 118.16 20.65 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 174.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -124.6 152.72 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -176.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.26 154.51 20.88 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mp -140.72 144.81 26.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -176.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -140.6 108.76 5.77 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -176.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.68 157.74 40.77 Favored Pre-proline 0 N--CA 1.455 -0.187 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.375 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.06 159.25 43.59 Favored 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 123.189 2.593 . . . . 0.0 111.04 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . 0.433 ' HA ' ' HD2' ' C' ' 38' ' ' LYS . 11.4 mmmm -71.03 -0.17 8.87 Favored 'General case' 0 C--O 1.23 0.054 0 CA-C-O 121.162 0.506 . . . . 0.0 110.069 173.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.49 -11.68 58.51 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.008 1.323 . . . . 0.0 110.594 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -139.24 168.1 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.158 0.983 . . . . 0.0 109.342 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.48 157.04 18.8 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.203 0.201 . . . . 0.0 110.521 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -156.71 128.57 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 175.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -156.21 172.3 18.69 Favored 'General case' 0 C--O 1.23 0.052 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.522 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 5.4 ptp85 -80.64 166.35 21.17 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -58.83 -23.55 60.78 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . 0.522 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 55.0 tt0 -69.65 -38.15 77.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.014 0.526 . . . . 0.0 112.0 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 19.7 mm -90.53 -24.62 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.471 ' HA ' HG12 ' C' ' 51' ' ' ILE . 85.0 t80 -59.65 -28.33 67.15 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 122.647 0.379 . . . . 0.0 111.526 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -69.85 -21.52 63.35 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.011 0.524 . . . . 0.0 111.132 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -86.07 -15.8 40.09 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 176.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.471 HG12 ' HA ' ' C' ' 48' ' ' TYR . 7.2 mm -79.97 -58.02 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 175.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.467 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 86.4 mm-40 -69.21 3.07 2.36 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.127 0.971 . . . . 0.0 112.611 -174.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.39 -15.05 62.19 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.956 0.502 . . . . 0.0 111.572 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.87 14.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.969 0 CA-C-O 119.316 -0.713 . . . . 0.0 113.769 177.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -157.89 -175.52 5.41 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.56 1.18 . . . . 0.0 112.529 -170.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 3.7 m -146.69 1.62 0.8 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.221 0.609 . . . . 0.0 110.104 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.99 80.88 5.89 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 123.425 0.69 . . . . 0.0 109.59 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -50.83 170.06 0.15 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 124.864 3.709 . . . . 0.0 115.093 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.894 -178.216 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 1 C5'-C4'-C3' 108.974 -4.35 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . 0.439 " H3'" ' C8 ' ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 O5'-C5'-C4' 113.72 2.514 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 38' ' ' ' A' . . . . . 0.512 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 111.06 2.86 . 0.067 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 39' ' ' ' G' . . . . . 0.512 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 P-O3'-C3' 122.681 2.485 . 0.099 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.313 1 O4'-C1'-N19 114.55 6.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 C5'-C4'-C3' 110.408 -3.395 . 0.147 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 42' ' ' ' C' . . . . . 0.581 " H3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.771 1 O4'-C1'-N19 112.59 4.39 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . 0.581 H5'' " H3'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.411 -3.536 0 C4'-C3'-C2' 99.227 -3.473 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . 0.524 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 O4'-C1'-N19 111.629 3.429 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 tpt . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mt -136.04 156.31 48.92 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 172.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.424 ' HB ' ' H62' ' B' ' 43' ' ' ' A' . 3.4 mp -138.36 147.54 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 175.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -143.16 167.62 21.68 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.709 0.804 . . . . 0.0 109.516 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -135.98 95.58 3.24 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 172.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.645 HH21 HG22 ' A' ' 22' ' ' ILE . 9.1 ttp180 -107.47 179.51 4.22 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.956 0.902 . . . . 0.0 109.562 -177.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -137.4 171.31 14.66 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 118.453 0.569 . . . . 0.0 111.533 174.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.468 ' HA ' HG13 ' A' ' 22' ' ' ILE . 10.3 m -56.79 136.28 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.982 -173.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.72 -6.52 67.5 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.064 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -94.38 179.24 5.36 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.277 1.038 . . . . 0.0 111.502 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.2 m -146.41 166.33 26.69 Favored 'General case' 0 C--N 1.341 0.223 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -178.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 13' ' ' ASN . 35.4 mm -143.87 168.6 11.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 125.893 1.677 . . . . 0.0 107.716 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.416 ' N ' HG22 ' A' ' 12' ' ' ILE . 19.0 m120 -136.65 153.6 50.87 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.106 0.479 . . . . 0.0 112.117 -176.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -140.34 150.14 21.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 124.088 0.955 . . . . 0.0 108.702 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.92 -140.08 31.64 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -129.84 10.55 5.53 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.162 0.585 . . . . 0.0 110.374 176.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -142.1 12.65 2.01 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.888 0.875 . . . . 0.0 111.883 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -127.82 146.9 32.71 Favored 'Isoleucine or valine' 0 C--N 1.34 0.163 0 CA-C-N 118.977 0.808 . . . . 0.0 111.114 -178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.9 m -141.16 155.04 46.14 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.295 1.038 . . . . 0.0 108.676 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.9 mm -134.48 145.72 32.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.1 m -140.46 148.97 41.95 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.645 HG22 HH21 ' A' ' 6' ' ' ARG . 2.8 tp -108.22 94.59 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -66.13 -27.97 68.44 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -173.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 155.99 -169.95 33.68 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 118.141 0.428 . . . . 0.0 112.151 177.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -131.94 161.97 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 CA-C-O 121.047 0.451 . . . . 0.0 111.181 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.5 t -150.99 90.39 1.61 Allowed 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 176.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.83 -135.46 28.39 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -173.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -75.32 -17.36 60.27 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 117.72 0.76 . . . . 0.0 110.267 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.9 149.96 47.28 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.4 t -137.97 119.27 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 105.799 -1.926 . . . . 0.0 105.799 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -87.94 127.76 35.37 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mt -135.35 155.22 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -169.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.15 154.79 21.17 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.161 -1.175 . . . . 0.0 110.161 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.8 mt -140.59 144.09 27.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -176.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -140.53 107.67 5.48 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.54 157.96 40.92 Favored Pre-proline 0 C--O 1.234 0.262 0 C-N-CA 123.809 0.844 . . . . 0.0 109.212 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -64.58 159.79 43.06 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.448 2.765 . . . . 0.0 110.858 175.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 11.2 mmmm -71.82 -0.53 11.41 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-O 121.025 0.441 . . . . 0.0 109.887 172.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.87 -11.61 56.41 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.704 1.201 . . . . 0.0 110.673 172.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -138.53 168.34 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.028 0.931 . . . . 0.0 109.66 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.19 155.88 22.26 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.326 -0.234 . . . . 0.0 110.819 -176.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.99 130.33 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -155.41 174.63 14.97 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.474 0.709 . . . . 0.0 109.511 177.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -73.56 164.04 27.2 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -60.88 -27.41 68.12 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.391 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -65.89 -38.26 88.29 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.976 0.511 . . . . 0.0 111.1 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -91.69 -29.36 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 122.19 0.196 . . . . 0.0 110.81 -173.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -54.17 -29.83 47.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.521 0.728 . . . . 0.0 111.622 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -61.48 -15.8 41.22 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.538 0.735 . . . . 0.0 112.457 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -83.56 -41.05 18.34 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 51' ' ' ILE . 1.1 mp -65.86 -14.67 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 124.354 1.062 . . . . 0.0 109.404 -178.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -110.26 3.12 19.68 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -138.43 -3.59 1.71 Allowed 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.55 -11.53 0.03 OUTLIER Glycine 0 CA--C 1.526 0.764 0 CA-C-N 119.12 0.873 . . . . 0.0 113.244 178.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 69.9 174.88 0.29 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.603 1.561 . . . . 0.0 111.913 170.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.2 t -144.23 9.19 1.44 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.357 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.6 71.37 8.18 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 123.025 0.53 . . . . 0.0 110.647 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.41 174.22 0.1 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 124.605 3.537 . . . . 0.0 114.005 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 CA--C 1.529 0.151 0 C-N-CA 124.28 1.032 . . . . 0.0 112.58 179.915 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 C3'-C2'-C1' 104.527 3.363 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 O4'-C1'-N19 110.999 2.799 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ' A' . . . . . 0.465 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.821 0 O4'-C1'-N19 111.162 2.962 . 0.078 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.465 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 C3'-C2'-C1' 104.003 2.781 . 0.132 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.435 1 O4'-C1'-N19 113.301 5.101 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C5'-C4'-C3' 110.887 -3.076 . 0.122 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 C5'-C4'-C3' 111.368 -2.754 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . 0.424 ' H62' ' HB ' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.848 0 C5'-C4'-C3' 109.681 -3.88 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C5'-C4'-C3' 111.946 -2.369 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.423 ' C ' HD12 ' C' ' 3' ' ' ILE . 5.2 mt -134.51 151.92 51.44 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.476 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 4.5 mp -133.27 148.17 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -145.39 166.19 26.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.917 0.887 . . . . 0.0 110.082 -175.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.72 94.5 2.84 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.12 174.35 5.91 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 124.425 1.09 . . . . 0.0 109.431 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -131.53 171.2 13.7 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 118.535 0.607 . . . . 0.0 111.312 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.442 ' HA ' HG13 ' C' ' 22' ' ' ILE . 6.1 m -57.71 131.73 21.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.658 -171.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.98 0.71 58.65 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.392 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -104.98 178.37 4.58 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.091 0.946 . . . . 0.0 110.686 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 44.4 m -143.87 167.62 21.88 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -173.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 43.4 mt -143.37 165.16 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 125.809 1.643 . . . . 0.0 106.975 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -141.59 155.37 45.76 Favored 'General case' 0 N--CA 1.458 -0.075 0 O-C-N 121.443 -0.786 . . . . 0.0 112.241 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 52.7 mt -140.83 148.28 21.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 C-N-CA 124.176 0.99 . . . . 0.0 108.44 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.13 -138.78 38.64 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -129.94 10.41 5.47 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.575 0.75 . . . . 0.0 109.847 176.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -142.25 10.67 1.92 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.318 0.647 . . . . 0.0 112.016 -176.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -127.75 145.98 34.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 118.681 0.673 . . . . 0.0 110.353 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 46.3 m -140.05 155.16 47.18 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.5 mm -135.06 145.39 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 15.0 m -139.96 146.07 38.67 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.442 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.2 tp -105.65 95.69 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.32 -24.93 62.21 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -172.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.428 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.39 -173.98 35.52 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 118.057 0.39 . . . . 0.0 113.153 176.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -136.51 160.99 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 117.064 0.432 . . . . 0.0 111.714 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -150.21 89.03 1.55 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.603 1.161 . . . . 0.0 108.813 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.91 -102.4 1.54 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -106.64 -19.85 13.54 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 117.577 0.689 . . . . 0.0 109.289 172.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -68.26 149.03 49.97 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 53.0 t -138.27 116.67 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -77.79 121.07 23.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 mt -128.49 154.96 39.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.99 157.72 22.78 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.4 142.92 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -140.0 107.27 5.51 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -177.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.4 156.99 42.54 Favored Pre-proline 0 N--CA 1.452 -0.348 0 C-N-CA 123.421 0.688 . . . . 0.0 109.858 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.56 158.21 51.1 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 123.277 2.651 . . . . 0.0 110.799 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -72.45 -0.65 13.15 Favored 'General case' 0 CA--C 1.527 0.081 0 CA-C-O 120.981 0.419 . . . . 0.0 110.406 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.4 -7.26 48.82 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.539 1.136 . . . . 0.0 111.218 173.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -136.77 168.58 21.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 123.653 0.781 . . . . 0.0 109.177 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.03 156.83 20.7 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.822 0.344 . . . . 0.0 111.391 -175.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -156.06 125.04 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -151.05 171.0 18.02 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' C' ' 44' ' ' ARG . 36.9 mtp-105 -71.33 160.94 31.89 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -61.75 -19.56 62.59 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.6 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -75.98 -50.25 15.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.128 0.571 . . . . 0.0 110.817 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.66 -30.23 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 122.807 0.443 . . . . 0.0 110.266 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.494 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 81.5 t80 -60.47 -30.52 69.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.737 0.415 . . . . 0.0 111.917 -177.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -74.28 -21.37 59.78 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.124 -0.36 . . . . 0.0 111.618 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -77.47 -18.76 56.84 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 93.0 mt -99.53 -44.35 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.256 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.494 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 77.1 mm-40 -72.71 3.07 5.49 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.31 -15.91 61.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.415 0.286 . . . . 0.0 111.659 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.63 19.62 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 CA-C-O 119.537 -0.59 . . . . 0.0 113.366 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -156.24 -168.19 2.66 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.231 1.016 . . . . 0.0 111.705 -171.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 33.1 m -139.15 -22.06 0.93 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.347 0.659 . . . . 0.0 110.041 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -161.26 104.93 1.23 Allowed Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 124.058 0.943 . . . . 0.0 108.685 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -48.13 -48.04 17.72 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.762 2.975 . . . . 0.0 113.295 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 N--CA 1.456 -0.151 0 C-N-CA 123.205 0.602 . . . . 0.0 110.509 -178.59 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 C5'-C4'-C3' 110.259 -3.494 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 C5'-C4'-C3' 110.704 -3.198 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 38' ' ' ' A' . . . . . 0.443 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 O4'-C1'-N19 111.051 2.851 . 0.103 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 39' ' ' ' G' . . . . . 0.443 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 C3'-C2'-C1' 103.928 2.698 . 0.057 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.447 1 O4'-C1'-N19 113.192 4.992 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.017 1 C5'-C4'-C3' 109.45 -4.034 . 0.094 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 42' ' ' ' C' . . . . . 0.476 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 O4'-C1'-N19 111.871 3.671 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . 0.492 " O4'" ' C6 ' ' D' ' 44' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.41 -3.582 0 O3'-P-O5' 98.7 -2.79 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . 0.492 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.108 0 O4'-C1'-N19 111.46 3.26 . 0.197 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mt -140.2 156.16 46.62 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 172.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -136.3 131.79 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 174.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -127.21 158.02 38.24 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 125.173 1.389 . . . . 0.0 108.302 -175.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -141.4 102.72 4.27 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.736 0.303 . . . . 0.0 110.31 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.509 HH22 ' HB ' ' C' ' 30' ' ' VAL . 0.0 OUTLIER -132.6 170.75 14.75 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HE3' ' OE1' ' C' ' 29' ' ' GLN . 7.9 ptpp? -114.5 175.26 5.56 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 -171.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.404 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 14.6 m -58.77 138.63 19.58 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 CA-C-O 121.034 0.445 . . . . 0.0 111.54 -174.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.46 -12.3 67.91 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.472 -0.627 . . . . 0.0 112.609 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -85.67 -178.83 6.74 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.116 0.958 . . . . 0.0 111.446 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -145.58 165.26 29.17 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.207 0.603 . . . . 0.0 111.584 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.9 mt -143.85 164.28 14.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -137.92 155.68 48.66 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 119.381 0.991 . . . . 0.0 112.562 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.7 mt -141.92 147.66 21.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 C-N-CA 124.054 0.942 . . . . 0.0 108.517 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.91 -140.88 33.9 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -129.21 10.4 5.8 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.739 0.815 . . . . 0.0 109.767 176.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -142.04 10.78 1.97 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.428 0.691 . . . . 0.0 111.616 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -129.1 144.31 38.57 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 CA-C-N 118.707 0.685 . . . . 0.0 110.894 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.0 m -140.85 155.23 46.38 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.2 mm -132.35 145.56 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 m -141.75 147.68 37.75 Favored 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.41 HG21 ' HE ' ' A' ' 6' ' ' ARG . 1.6 tp -105.54 108.09 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mt -75.28 -24.87 57.61 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.685 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 150.64 -169.83 30.5 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 174.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 m -135.57 163.86 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 117.48 0.64 . . . . 0.0 111.596 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -151.1 103.04 3.0 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.184 0.994 . . . . 0.0 108.671 175.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.87 -102.62 1.0 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -111.03 -14.69 13.88 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -70.45 148.74 47.96 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.5 t -136.73 109.77 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -83.99 128.21 34.4 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -130.02 155.31 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -170.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.2 153.09 19.33 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 176.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.1 mt -140.55 145.55 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -175.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -139.94 106.62 5.36 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -176.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.75 155.53 41.26 Favored Pre-proline 0 N--CA 1.452 -0.363 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.661 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.05 158.74 46.12 Favored 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 123.49 2.793 . . . . 0.0 111.213 176.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -72.33 -1.56 15.9 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.899 0.381 . . . . 0.0 110.749 175.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -72.21 -7.09 47.35 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.63 1.172 . . . . 0.0 110.818 174.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -138.39 168.36 19.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.46 157.75 20.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.574 0.225 . . . . 0.0 111.222 -175.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -155.79 125.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 123.07 0.548 . . . . 0.0 109.605 177.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -156.19 172.02 19.17 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.613 0.765 . . . . 0.0 109.442 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.408 HH22 ' HB2' ' C' ' 4' ' ' LEU . 8.9 ptp180 -78.07 166.66 22.53 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 175.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -61.15 -21.19 63.54 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -73.49 -47.55 40.3 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.816 -0.552 . . . . 0.0 110.518 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -76.15 -26.8 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -59.28 -32.23 69.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 122.274 -0.266 . . . . 0.0 111.608 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -67.6 -16.73 64.33 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.672 0.789 . . . . 0.0 112.827 -176.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -82.85 -22.5 34.04 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 118.178 0.444 . . . . 0.0 111.808 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.3 mt -90.56 -63.34 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -166.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.74 3.54 0.52 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.581 0.752 . . . . 0.0 112.712 179.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.48 -16.63 49.06 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.75 21.97 0.29 Allowed Glycine 0 C--N 1.339 0.733 0 CA-C-O 119.454 -0.637 . . . . 0.0 112.485 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.97 -27.31 0.21 Allowed 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -172.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.6 m 48.31 18.73 0.17 Allowed 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -176.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.19 65.25 3.51 Favored Pre-proline 0 CA--C 1.533 0.31 0 O-C-N 121.514 -0.741 . . . . 0.0 111.534 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -52.94 171.83 0.21 Allowed 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 124.31 3.34 . . . . 0.0 114.818 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.541 175.269 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 O4'-C1'-N19 112.14 3.94 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 C5'-C4'-C3' 110.341 -3.439 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ' A' . . . . . 0.452 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.907 0 O4'-C1'-N19 111.798 3.598 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.452 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C3'-C2'-C1' 103.787 2.541 . 0.041 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 1 O4'-C1'-N19 112.719 4.519 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.289 0 C5'-C4'-C3' 111.144 -2.904 . 0.108 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ' C' . . . . . 0.44 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.417 -3.006 0 N19-C1'-C2' 109.743 -2.285 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C4'-C3'-C2' 98.804 -3.896 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 0 C3'-C2'-C1' 104.684 3.538 . 0.051 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.8 tpt . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.424 ' C ' HD12 ' C' ' 3' ' ' ILE . 2.6 mt -140.03 150.62 44.62 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 174.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.424 HD12 ' C ' ' C' ' 2' ' ' LEU . 4.5 mp -138.49 133.47 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.408 ' HB2' HH22 ' A' ' 44' ' ' ARG . 1.2 pp -163.14 165.56 24.43 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.9 m -115.71 151.52 34.95 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.289 0.566 . . . . 0.0 110.571 -173.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -144.89 162.37 37.02 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.125 1.37 . . . . 0.0 107.431 -176.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -128.8 168.04 16.46 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 119.743 1.156 . . . . 0.0 110.335 169.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.448 ' HA ' HG13 ' C' ' 22' ' ' ILE . 7.8 m -56.82 134.44 21.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.988 -171.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.41 -0.63 63.7 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.395 -0.669 . . . . 0.0 112.83 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -106.38 -178.91 3.79 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.272 1.036 . . . . 0.0 110.378 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 39.9 m -143.09 167.8 21.24 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -173.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mm -141.31 165.7 18.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 126.631 1.972 . . . . 0.0 106.958 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -139.56 153.95 47.53 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.551 0.614 . . . . 0.0 112.163 -176.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 53.7 mt -141.14 147.36 22.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 123.961 0.904 . . . . 0.0 108.829 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.03 -141.17 37.56 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -129.2 10.46 5.81 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.154 0.582 . . . . 0.0 109.607 176.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -141.9 11.31 2.01 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.398 0.679 . . . . 0.0 111.737 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.49 145.93 34.97 Favored 'Isoleucine or valine' 0 C--N 1.342 0.245 0 CA-C-N 118.667 0.667 . . . . 0.0 110.634 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 56.6 m -141.25 155.67 45.99 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.604 0.762 . . . . 0.0 109.112 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -135.03 143.34 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 32.8 m -142.9 121.76 12.72 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.448 HG13 ' HA ' ' C' ' 8' ' ' VAL . 2.0 tp -79.92 100.52 4.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.44 HD22 ' C2 ' ' B' ' 42' ' ' ' C' . 7.2 mt -69.94 -30.85 68.33 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.187 -0.321 . . . . 0.0 111.447 -175.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.421 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.69 -172.53 35.57 Favored Glycine 0 C--N 1.341 0.817 0 C-N-CA 121.61 -0.329 . . . . 0.0 112.748 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -132.66 164.16 35.85 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-O 121.06 0.457 . . . . 0.0 111.624 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 46.2 t -152.35 92.13 1.66 Allowed 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 124.062 0.945 . . . . 0.0 109.195 176.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.29 -102.01 1.79 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 -178.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -112.61 -16.17 12.88 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 172.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.426 ' OE1' ' HE3' ' A' ' 7' ' ' LYS . 3.3 mp0 -67.53 148.39 51.53 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.509 ' HB ' HH22 ' A' ' 6' ' ' ARG . 63.1 t -138.39 113.37 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -87.29 128.75 35.17 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -133.02 153.52 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -175.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.3 156.72 15.53 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 56.3 mt -140.69 142.98 29.61 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -140.33 107.37 5.45 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.34 156.62 42.74 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 123.601 0.76 . . . . 0.0 109.959 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.27 158.8 50.43 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 123.378 2.719 . . . . 0.0 111.137 175.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' C' ' 38' ' ' LYS . 10.0 mmmm -73.19 -0.88 15.54 Favored 'General case' 0 C--N 1.339 0.112 0 O-C-N 122.172 -0.33 . . . . 0.0 110.877 174.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.2 -6.72 41.71 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.005 0.922 . . . . 0.0 110.705 172.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -138.92 168.5 19.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 123.974 0.909 . . . . 0.0 108.892 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.23 158.5 18.89 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 111.149 -176.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -158.69 128.87 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -154.87 170.73 20.99 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.718 0.407 . . . . 0.0 110.055 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 26.1 ttp-105 -73.34 158.34 35.27 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 173.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -57.99 -24.7 59.24 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.17 0.441 . . . . 0.0 110.415 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.08 -35.23 74.04 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.501 0.72 . . . . 0.0 111.457 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -91.28 -30.42 4.81 Favored 'Isoleucine or valine' 0 C--N 1.338 0.096 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.421 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 84.8 t80 -54.01 -29.68 44.4 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.877 0.471 . . . . 0.0 111.492 -177.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -62.85 -14.91 51.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.512 0.725 . . . . 0.0 112.54 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -84.51 -42.17 15.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.55 ' N ' HD12 ' C' ' 51' ' ' ILE . 1.2 mp -65.48 -10.21 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.488 1.115 . . . . 0.0 109.555 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.421 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 62.9 mm-40 -120.09 3.17 10.96 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -143.88 1.69 1.15 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . 0.406 ' H ' ' H ' ' C' ' 55' ' ' LEU . . . -165.87 -13.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 CA-C-N 118.692 0.678 . . . . 0.0 112.098 178.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.406 ' H ' ' H ' ' C' ' 54' ' ' GLY . 0.9 OUTLIER 58.02 171.59 0.05 Allowed 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.983 2.113 . . . . 0.0 113.35 178.393 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 66.6 p -140.66 1.51 1.73 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.424 -177.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.25 63.41 4.17 Favored Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 122.888 0.475 . . . . 0.0 110.785 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -45.43 -36.4 13.24 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 124.311 3.341 . . . . 0.0 114.329 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 N--CA 1.452 -0.359 0 C-N-CA 122.244 0.218 . . . . 0.0 111.354 -174.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 0 C5'-C4'-C3' 110.183 -3.545 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 0 O4'-C1'-N19 111.019 2.819 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 38' ' ' ' A' . . . . . 0.51 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 O4'-C1'-N19 110.989 2.789 . 0.043 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 39' ' ' ' G' . . . . . 0.51 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.034 0 P-O3'-C3' 122.572 2.393 . 0.012 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 1 O4'-C1'-N19 113.852 5.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.379 0 C5'-C4'-C3' 110.818 -3.122 . 0.167 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 42' ' ' ' C' . . . . . 0.573 " H3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.456 1 O4'-C1'-N19 112.543 4.343 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . 0.573 H5'' " H3'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.409 -3.687 0 C4'-C3'-C2' 99.069 -3.631 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . 0.545 ' C6 ' " O4'" ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 O4'-C1'-N19 111.713 3.513 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mt -138.81 152.54 47.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.467 ' CD1' " H4'" ' B' ' 42' ' ' ' C' . 4.8 mp -135.7 148.68 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -148.17 169.7 19.45 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.622 0.769 . . . . 0.0 110.17 -175.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -133.63 97.86 4.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 172.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -101.99 163.15 12.4 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 125.088 1.355 . . . . 0.0 108.031 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -129.13 167.53 17.44 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 118.877 0.762 . . . . 0.0 110.885 173.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.463 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 5.8 m -56.11 131.99 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.298 -170.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.95 -4.14 57.43 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.498 177.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -105.55 -179.1 3.84 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.326 1.063 . . . . 0.0 111.108 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 m -141.96 168.48 19.64 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mm -141.39 163.44 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 126.978 2.111 . . . . 0.0 107.129 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -137.8 153.99 49.6 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.73 -0.606 . . . . 0.0 112.205 -175.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.7 mt -141.26 148.29 21.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 123.725 0.81 . . . . 0.0 109.094 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.79 -138.27 38.23 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -129.89 10.5 5.5 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.45 0.7 . . . . 0.0 109.978 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -143.37 11.06 1.7 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.13 0.572 . . . . 0.0 111.83 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.85 145.16 36.1 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 CA-C-N 118.943 0.792 . . . . 0.0 110.834 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 m -141.31 155.78 45.93 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.4 mm -134.63 146.78 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -140.81 145.49 36.36 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.445 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.6 tp -106.11 94.35 3.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.448 HD13 " H1'" ' D' ' 42' ' ' ' C' . 15.8 mt -67.46 -27.67 67.23 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -173.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.63 -173.31 35.63 Favored Glycine 0 C--N 1.34 0.778 0 CA-C-N 118.435 0.561 . . . . 0.0 112.742 177.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -136.37 163.3 34.06 Favored 'Isoleucine or valine' 0 C--N 1.34 0.164 0 CA-C-N 117.042 0.421 . . . . 0.0 111.421 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.3 t -152.81 89.57 1.4 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.968 0.907 . . . . 0.0 108.945 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.51 -102.08 1.58 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.076 -1.209 . . . . 0.0 110.076 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -106.85 -16.78 14.38 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 173.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -69.47 148.19 49.87 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.0 t -139.74 114.68 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 ttt-85 -85.72 127.92 34.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -134.02 154.9 38.84 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -170.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.96 156.54 21.22 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.9 mt -140.54 142.23 31.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -140.37 106.05 5.13 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.75 158.0 40.21 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 123.693 0.797 . . . . 0.0 109.887 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -65.03 159.87 44.4 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 123.154 2.57 . . . . 0.0 110.992 175.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -71.44 -1.59 13.69 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.187 0.518 . . . . 0.0 109.652 173.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.04 -12.37 54.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.087 1.355 . . . . 0.0 110.759 173.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 m -135.96 168.33 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 123.995 0.918 . . . . 0.0 108.767 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.92 157.93 20.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 120.634 0.254 . . . . 0.0 110.375 -176.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.61 125.77 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 177.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -154.02 171.3 19.28 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 122.811 0.444 . . . . 0.0 110.343 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -69.72 157.04 38.04 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 175.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -57.93 -27.86 63.75 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.187 -0.321 . . . . 0.0 110.388 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -63.88 -50.31 69.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.002 0.521 . . . . 0.0 110.314 176.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.3 mm -76.37 -29.29 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.624 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -56.66 -29.53 62.4 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.012 0.525 . . . . 0.0 111.505 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -64.32 -14.53 56.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.966 0.506 . . . . 0.0 111.726 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -81.85 -35.87 28.87 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.485 ' CD1' ' N ' ' A' ' 51' ' ' ILE . 1.0 OUTLIER -70.15 -9.77 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.504 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -116.09 -7.99 11.84 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -150.19 4.1 0.53 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.65 1.114 . . . . 0.0 113.751 -177.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.72 56.69 0.24 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 107.933 -2.067 . . . . 0.0 107.933 -176.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.797 ' H ' HD22 ' A' ' 55' ' ' LEU . 1.6 mm? -44.36 152.22 0.21 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.195 1.798 . . . . 0.0 114.153 -167.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.3 p -133.46 8.72 3.95 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.14 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.99 72.77 10.31 Favored Pre-proline 0 CA--C 1.534 0.342 0 C-N-CA 124.43 1.092 . . . . 0.0 109.144 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -42.85 -38.15 6.57 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 125.193 3.929 . . . . 0.0 115.693 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.761 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 O4'-C1'-N19 112.035 3.835 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 1 O4'-C1'-N19 112.461 4.261 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ' A' . . . . . 0.477 " H1'" ' N7 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O4'-C1'-N19 111.595 3.395 . 0.182 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.477 ' N7 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C3'-C2'-C1' 103.794 2.549 . 0.063 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 1 O4'-C1'-N19 115.141 6.941 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ' A' . . . . . 0.401 ' C8 ' ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.998 0 C5'-C4'-C3' 110.038 -3.641 . 0.149 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ' C' . . . . . 0.467 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 O4'-C1'-N19 111.699 3.499 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . 0.456 ' C8 ' " H3'" ' B' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.251 0 O3'-P-O5' 98.889 -2.69 . 0.096 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . 0.423 ' C6 ' " O4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 O4'-C1'-N19 111.325 3.125 . 0.01 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.6 tpt . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 119.549 -0.262 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mt -134.45 153.72 51.77 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.483 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 4.5 mp -135.21 152.2 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.0 mt -145.13 165.66 27.65 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.981 0.912 . . . . 0.0 109.65 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.29 100.2 4.06 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 170.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.697 HH21 HG22 ' C' ' 22' ' ' ILE . 9.6 ttp180 -116.16 176.57 5.04 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.339 1.055 . . . . 0.0 109.898 -174.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -131.8 170.48 14.78 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 118.27 0.486 . . . . 0.0 112.228 176.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.431 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 6.7 m -56.23 129.95 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.757 -173.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.92 -19.47 35.34 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.241 -0.755 . . . . 0.0 113.498 177.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.71 177.54 7.0 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.7 1.25 . . . . 0.0 111.835 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -142.61 163.95 31.43 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.745 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 39.5 mm -139.71 167.29 19.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 126.051 1.74 . . . . 0.0 107.447 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -136.04 153.7 51.27 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.272 0.487 . . . . 0.0 111.91 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 51.2 mt -140.1 154.17 23.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 C-N-CA 124.274 1.03 . . . . 0.0 108.673 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.66 -140.28 41.06 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -129.74 10.22 5.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.635 0.774 . . . . 0.0 109.296 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -146.81 13.64 1.16 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.367 0.667 . . . . 0.0 111.885 -176.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -127.03 148.41 31.85 Favored 'Isoleucine or valine' 0 C--N 1.343 0.303 0 CA-C-N 119.085 0.857 . . . . 0.0 110.804 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.0 m -141.07 154.75 46.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -133.71 146.38 31.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -141.86 148.18 38.36 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.697 HG22 HH21 ' C' ' 6' ' ' ARG . 2.2 tp -106.73 94.57 3.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 mt -66.51 -28.21 68.38 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.121 -0.362 . . . . 0.0 111.7 -173.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.431 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 158.26 -173.11 35.39 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 118.096 0.407 . . . . 0.0 112.33 175.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.44 159.57 38.03 Favored 'Isoleucine or valine' 0 C--N 1.34 0.178 0 CA-C-N 117.276 0.538 . . . . 0.0 111.216 178.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 55.7 m -150.92 90.66 1.64 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 124.479 1.111 . . . . 0.0 108.664 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.25 -109.26 2.73 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -177.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -103.03 -16.95 15.64 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.98 145.15 53.84 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 81.9 t -137.38 114.26 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -85.46 125.27 32.9 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -129.83 152.95 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 123.344 0.402 . . . . 0.0 109.943 -171.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.16 154.41 18.9 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 109.999 -1.241 . . . . 0.0 109.999 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -140.32 139.82 35.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -137.98 105.99 5.7 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.17 155.95 50.58 Favored Pre-proline 0 N--CA 1.448 -0.54 0 C-N-CA 123.733 0.813 . . . . 0.0 108.868 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -62.02 153.98 65.15 Favored 'Trans proline' 0 N--CA 1.445 -1.37 0 C-N-CA 122.278 1.985 . . . . 0.0 110.105 178.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -66.03 -4.61 7.53 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.744 0.307 . . . . 0.0 110.308 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -74.19 -7.29 52.15 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 125.88 1.672 . . . . 0.0 112.7 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 24.8 m -132.98 168.41 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.75 154.69 19.67 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 120.975 0.417 . . . . 0.0 111.624 -175.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -157.88 127.51 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.165 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -153.63 172.86 16.57 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.72 0.408 . . . . 0.0 109.913 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 mtp-105 -72.0 158.9 35.14 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -59.01 -27.1 65.12 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.127 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -66.43 -38.03 86.51 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.152 0.581 . . . . 0.0 111.469 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.9 mm -90.95 -27.99 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-O 120.613 0.244 . . . . 0.0 110.775 -172.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.419 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 84.2 t80 -55.49 -28.75 56.46 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.446 0.699 . . . . 0.0 111.409 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -63.45 -14.1 47.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.371 0.669 . . . . 0.0 112.06 -177.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -85.09 -42.99 14.29 Favored 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.543 ' N ' HD12 ' C' ' 51' ' ' ILE . 1.1 mp -64.27 -11.4 10.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 124.183 0.993 . . . . 0.0 109.556 -178.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.419 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 66.2 mm-40 -119.2 2.08 11.37 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 178.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -144.86 1.29 1.0 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' C' ' 55' ' ' LEU . . . -162.96 -9.96 0.03 OUTLIER Glycine 0 CA--C 1.528 0.863 0 CA-C-N 118.794 0.725 . . . . 0.0 112.189 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.405 ' H ' ' H ' ' C' ' 54' ' ' GLY . 0.8 OUTLIER 52.63 -170.01 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.749 2.019 . . . . 0.0 113.072 177.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 79.0 p -130.89 7.75 4.76 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 122.82 0.448 . . . . 0.0 110.713 -178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.59 119.41 2.43 Favored Pre-proline 0 N--CA 1.453 -0.283 0 C-N-CA 123.397 0.679 . . . . 0.0 109.557 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -50.28 -41.98 48.89 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.777 2.985 . . . . 0.0 112.963 176.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -175.543 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 C5'-C4'-C3' 110.843 -3.105 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C5'-C4'-C3' 111.03 -2.98 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 38' ' ' ' A' . . . . . 0.445 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.668 2 O4'-C1'-N19 112.87 4.67 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' D' D ' 39' ' ' ' G' . . . . . 0.445 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 C3'-C2'-C1' 104.129 2.921 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 1 O4'-C1'-N19 113.595 5.395 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 0 C5'-C4'-C3' 110.024 -3.65 . 0.089 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 42' ' ' ' C' . . . . . 0.483 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.974 0 O4'-C1'-N19 111.794 3.594 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . 0.401 ' C8 ' " H3'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 O3'-P-O5' 98.631 -2.826 . 0.144 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 C5'-C4'-C3' 111.001 -3.0 . 0.464 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 tpt . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.424 ' C ' HD12 ' A' ' 3' ' ' ILE . 5.4 mt -140.51 152.73 45.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 176.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.46 ' CD1' " H4'" ' B' ' 42' ' ' ' C' . 4.3 mp -135.39 146.54 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 176.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.6 mt -147.32 168.47 21.7 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.881 0.872 . . . . 0.0 109.671 -176.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -130.86 97.24 4.28 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 173.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -103.8 157.33 17.15 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.921 1.689 . . . . 0.0 108.175 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -118.94 170.8 8.72 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 119.678 1.126 . . . . 0.0 111.379 173.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.457 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 12.1 m -57.48 135.6 21.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.93 -173.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.34 -0.6 66.13 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.303 176.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -105.77 -178.36 3.63 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 117.877 0.838 . . . . 0.0 110.385 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.5 m -141.35 168.38 19.92 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -173.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 mm -140.98 166.05 18.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 126.458 1.903 . . . . 0.0 107.032 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -140.66 153.98 46.22 Favored 'General case' 0 N--CA 1.458 -0.075 0 O-C-N 121.315 -0.866 . . . . 0.0 111.652 -174.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.2 mt -141.72 147.78 21.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 C-N-CA 123.853 0.861 . . . . 0.0 109.02 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.88 -139.72 27.8 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -178.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -130.09 11.0 5.47 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.285 0.634 . . . . 0.0 110.244 176.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -138.97 10.21 2.6 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.395 0.678 . . . . 0.0 111.774 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.19 145.14 36.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.158 0 CA-C-N 118.841 0.746 . . . . 0.0 110.683 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.9 m -141.38 156.23 45.84 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.8 mm -135.31 148.79 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -139.21 155.55 47.72 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -178.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.418 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 tp -121.3 86.97 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.402 HD22 ' C2 ' ' D' ' 42' ' ' ' C' . 6.8 mt -63.8 -28.46 69.88 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.941 -0.475 . . . . 0.0 112.001 -171.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.457 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 162.39 -174.09 38.76 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-N 118.434 0.561 . . . . 0.0 113.119 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.92 163.95 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 121.1 0.476 . . . . 0.0 111.396 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.1 t -151.42 89.65 1.51 Allowed 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 123.954 0.902 . . . . 0.0 108.886 175.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.33 -102.57 1.38 Allowed Glycine 0 CA--C 1.528 0.847 0 N-CA-C 109.744 -1.343 . . . . 0.0 109.744 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -106.33 -17.0 14.42 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 117.305 0.552 . . . . 0.0 109.629 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.459 HE21 ' HA ' ' A' ' 29' ' ' GLN . 0.8 OUTLIER -70.34 147.7 49.3 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.6 t -136.61 119.73 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' HG3' ' H61' ' D' ' 43' ' ' ' A' . 0.0 OUTLIER -87.17 118.32 26.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.413 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -125.83 151.24 31.79 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.14 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -171.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.61 155.78 19.09 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.6 mt -142.04 143.26 26.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -176.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -140.33 107.36 5.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.83 156.35 41.08 Favored Pre-proline 0 N--CA 1.451 -0.394 0 C-N-CA 123.545 0.738 . . . . 0.0 110.135 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.27 159.1 48.83 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 123.652 2.902 . . . . 0.0 111.324 175.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -73.25 -0.75 15.32 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.696 0.284 . . . . 0.0 110.475 174.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -71.16 -6.33 38.6 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.889 0.876 . . . . 0.0 110.717 172.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m -138.95 168.25 19.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 C-N-CA 123.864 0.865 . . . . 0.0 109.087 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.61 158.66 18.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.823 0.344 . . . . 0.0 111.061 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.401 HG13 HD12 ' C' ' 2' ' ' LEU . 0.8 OUTLIER -158.43 131.88 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 174.762 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -153.6 170.78 19.99 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -65.47 152.09 44.8 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 171.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -64.75 -10.32 26.69 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.616 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -74.94 -48.01 26.67 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.079 0.551 . . . . 0.0 109.852 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.27 -29.7 28.78 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 C-N-CA 123.153 0.581 . . . . 0.0 110.36 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.432 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 75.4 t80 -62.29 -30.38 71.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.203 -0.311 . . . . 0.0 111.443 -178.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -75.26 -21.27 58.68 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.153 -0.342 . . . . 0.0 111.354 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -75.84 -18.1 59.58 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.8 mt -99.11 -44.75 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 122.979 0.511 . . . . 0.0 109.925 -174.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.432 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 76.7 mm-40 -71.58 3.16 4.18 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 122.134 -0.354 . . . . 0.0 111.905 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.41 -17.52 64.6 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 122.091 -0.381 . . . . 0.0 111.423 176.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.65 19.45 0.06 OUTLIER Glycine 0 CA--C 1.527 0.783 0 CA-C-O 119.432 -0.649 . . . . 0.0 113.861 177.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -156.57 -171.68 3.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.396 1.098 . . . . 0.0 112.099 -171.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.3 m -142.89 6.56 1.59 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.914 0.486 . . . . 0.0 110.565 176.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.76 77.29 7.87 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 123.037 0.535 . . . . 0.0 110.41 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -49.67 153.7 5.31 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 124.741 3.627 . . . . 0.0 114.019 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 CA--C 1.539 0.529 0 C-N-CA 124.592 1.157 . . . . 0.0 113.035 175.868 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 O4'-C1'-N19 110.555 2.355 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C5'-C4'-C3' 110.847 -3.102 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ' A' . . . . . 0.53 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 O4'-C1'-N19 111.578 3.378 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.53 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 C3'-C2'-C1' 103.869 2.632 . 0.077 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 3 O4'-C1'-N19 115.552 7.352 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 C4'-C3'-C2' 100.247 -2.453 . 0.32 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ' C' . . . . . 0.518 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.411 -3.474 0 C4'-C3'-C2' 99.288 -3.412 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 O4'-C1'-N19 111.671 3.471 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.828 0 C5'-C4'-O4' 113.231 2.88 . 0.0 OUTLIER '7D dist 5p wannabe' 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpt . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 119.579 -0.248 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.401 HD12 HG13 ' A' ' 42' ' ' VAL . 5.8 mt -140.38 152.88 46.11 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.167 0.439 . . . . 0.0 110.16 176.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.403 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 5.2 mp -136.79 148.12 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -146.2 165.64 28.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.818 0.847 . . . . 0.0 110.148 -175.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -135.15 96.37 3.48 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 121.235 0.541 . . . . 0.0 109.595 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.08 -178.84 3.87 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 124.231 1.013 . . . . 0.0 108.876 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -133.28 173.35 11.55 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 172.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.438 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 9.4 m -60.89 132.9 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-O 121.177 0.513 . . . . 0.0 111.25 -174.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.56 -8.97 62.31 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.947 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -87.5 178.56 6.77 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 118.014 0.907 . . . . 0.0 111.336 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.5 m -145.43 168.72 19.87 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.085 0.554 . . . . 0.0 111.901 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 34.9 mt -146.48 164.3 8.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 125.804 1.642 . . . . 0.0 107.042 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -133.94 153.75 51.55 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.319 0.963 . . . . 0.0 111.929 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 45.3 mt -142.07 141.42 28.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 177.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.36 -139.37 38.45 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -175.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -131.3 10.5 4.88 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.033 0.533 . . . . 0.0 109.705 175.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -138.28 9.57 2.73 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.31 0.644 . . . . 0.0 111.692 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.37 141.35 46.14 Favored 'Isoleucine or valine' 0 C--N 1.337 0.053 0 CA-C-N 118.633 0.651 . . . . 0.0 109.752 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -137.46 157.12 47.26 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -133.07 147.81 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -143.61 144.2 31.81 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.407 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.6 tp -106.06 100.63 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 177.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.518 HD13 " H1'" ' B' ' 42' ' ' ' C' . 12.9 mt -71.71 -28.87 63.99 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 122.01 -0.431 . . . . 0.0 111.312 -174.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.438 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 160.77 -174.15 37.38 Favored Glycine 0 C--N 1.339 0.73 0 CA-C-N 118.286 0.494 . . . . 0.0 113.178 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.31 162.59 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-O 121.023 0.44 . . . . 0.0 111.694 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -150.91 89.26 1.52 Allowed 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.04 -102.49 1.24 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -107.55 -18.98 13.7 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 117.392 0.596 . . . . 0.0 109.821 175.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -69.72 147.9 49.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 176.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -138.34 116.44 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -80.17 115.87 19.97 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -123.6 151.21 28.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -175.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.83 154.54 19.32 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.2 mt -140.33 137.74 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -175.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -133.42 98.52 4.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -174.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.68 153.32 61.45 Favored Pre-proline 0 N--CA 1.452 -0.352 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.82 151.88 81.75 Favored 'Trans proline' 0 N--CA 1.444 -1.402 0 C-N-CA 122.473 2.115 . . . . 0.0 109.771 176.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -63.7 -8.48 10.4 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-O 121.461 0.648 . . . . 0.0 110.846 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.62 -8.99 16.38 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 125.483 1.513 . . . . 0.0 112.164 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -134.29 168.03 24.73 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.89 154.52 19.54 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.71 -0.396 . . . . 0.0 112.005 -174.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -160.36 130.58 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.16 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -157.07 171.87 19.69 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 124.336 1.054 . . . . 0.0 108.886 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -82.17 164.19 21.43 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 171.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -22.18 48.98 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -174.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -65.31 -43.23 91.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 119.034 0.834 . . . . 0.0 109.998 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.01 -28.79 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -63.64 -35.31 80.11 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.973 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -67.08 -13.7 62.18 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.507 0.723 . . . . 0.0 112.581 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -86.59 -23.07 25.89 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 118.333 0.515 . . . . 0.0 112.102 174.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.418 ' HA ' HD12 ' C' ' 55' ' ' LEU . 56.1 mt -89.06 -59.9 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 -167.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.424 ' NE2' ' N ' ' C' ' 52' ' ' GLN . 0.0 OUTLIER -59.71 -3.58 0.53 Allowed 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 178.232 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.67 -14.35 62.37 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 122.868 0.467 . . . . 0.0 111.209 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.75 25.44 0.05 OUTLIER Glycine 0 CA--C 1.527 0.795 0 CA-C-O 119.741 -0.477 . . . . 0.0 112.463 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' C' ' 51' ' ' ILE . 23.7 mt -127.54 -2.0 6.15 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.113 0.957 . . . . 0.0 112.919 -171.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 21.7 p -72.07 -9.32 58.25 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 118.331 0.514 . . . . 0.0 111.367 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.89 79.64 5.71 Favored Pre-proline 0 N--CA 1.452 -0.357 0 C-N-CA 123.432 0.693 . . . . 0.0 109.762 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.99 174.18 0.07 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 124.947 3.765 . . . . 0.0 114.371 177.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--O 1.232 0.136 0 C-N-CA 123.829 0.852 . . . . 0.0 112.65 -177.579 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 O4'-C1'-N19 112.178 3.978 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C5'-C4'-C3' 110.483 -3.345 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 38' ' ' ' A' . . . . . 0.439 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.972 0 O4'-C1'-N19 111.543 3.343 . 0.087 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 39' ' ' ' G' . . . . . 0.439 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C3'-C2'-C1' 104.286 3.095 . 0.057 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.542 1 O4'-C1'-N19 112.976 4.776 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C5'-C4'-C3' 110.237 -3.509 . 0.094 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 42' ' ' ' C' . . . . . 0.6 " H3'" H5'' ' D' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 C4'-C3'-C2' 98.896 -3.804 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . 0.6 H5'' " H3'" ' D' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.743 1 O4'-C1'-N19 114.961 6.761 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.44 0 C3'-C2'-C1' 104.182 2.98 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mt -140.13 156.3 46.61 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 174.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.4 ' CD1' ' C8 ' ' B' ' 41' ' ' ' A' . 4.1 mp -132.54 147.54 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.4 HD13 HD12 ' A' ' 12' ' ' ILE . 95.7 mt -148.66 166.71 27.51 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.896 0.879 . . . . 0.0 110.479 -175.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -136.89 102.57 4.91 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.198 0.523 . . . . 0.0 109.836 171.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.456 ' HD2' HD11 ' A' ' 12' ' ' ILE . 6.8 mmp_? -105.15 163.61 12.45 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 124.412 1.085 . . . . 0.0 110.246 178.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HE3' ' HB2' ' C' ' 28' ' ' GLN . 59.1 mtpt -118.69 167.43 11.67 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 11.3 m -62.36 129.19 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.368 -173.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.32 0.38 50.57 Favored Glycine 0 CA--C 1.53 0.98 0 CA-C-O 119.255 -0.747 . . . . 0.0 112.659 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -105.3 177.59 4.81 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.452 1.126 . . . . 0.0 110.859 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -143.48 166.79 23.81 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -173.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.456 HD11 ' HD2' ' A' ' 6' ' ' ARG . 42.6 mm -143.19 167.25 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 126.955 2.102 . . . . 0.0 106.931 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -139.04 157.11 46.58 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.322 -0.861 . . . . 0.0 112.536 -176.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.9 mt -141.24 148.04 21.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 124.176 0.99 . . . . 0.0 108.873 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.77 -140.28 30.58 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -128.58 10.35 6.11 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.526 0.73 . . . . 0.0 110.029 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -142.28 11.4 1.94 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.083 0.553 . . . . 0.0 111.516 -178.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.76 146.47 34.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 119.05 0.841 . . . . 0.0 110.789 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.8 m -140.82 157.51 45.28 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -135.52 146.44 29.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.7 m -142.57 146.51 34.67 Favored 'General case' 0 C--O 1.227 -0.112 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.75 95.11 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 178.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.11 -26.28 66.62 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.64 0.376 . . . . 0.0 111.975 -173.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 156.43 -172.31 34.19 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 118.112 0.415 . . . . 0.0 112.55 176.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 m -134.77 162.54 38.52 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 117.303 0.551 . . . . 0.0 111.524 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -150.37 89.55 1.58 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.289 1.035 . . . . 0.0 108.742 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.77 -102.64 1.33 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -107.42 -18.27 13.9 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 117.41 0.605 . . . . 0.0 109.796 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -68.11 147.74 51.9 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 175.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -136.24 116.41 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -86.17 127.15 34.67 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -132.22 155.01 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -170.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.15 154.45 20.57 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.5 mt -140.41 135.17 35.6 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -131.99 98.29 4.4 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.216 0.531 . . . . 0.0 109.942 -173.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.46 153.25 55.15 Favored Pre-proline 0 N--CA 1.447 -0.604 0 C-N-CA 124.398 1.079 . . . . 0.0 108.133 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.23 152.89 73.54 Favored 'Trans proline' 0 N--CA 1.443 -1.463 0 C-N-CA 122.076 1.85 . . . . 0.0 109.452 176.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -2.99 2.67 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 121.821 0.82 . . . . 0.0 110.568 175.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.39 -12.55 31.47 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 126.284 1.833 . . . . 0.0 111.897 173.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 m -132.86 166.77 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.759 0.824 . . . . 0.0 108.808 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.68 152.19 20.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.886 0.374 . . . . 0.0 111.043 -177.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -159.83 130.26 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 122.905 0.482 . . . . 0.0 109.809 173.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -155.87 172.11 18.92 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.84 0.856 . . . . 0.0 109.395 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -79.02 166.37 22.41 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 170.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -20.89 60.24 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -176.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -68.25 -48.44 65.09 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 118.477 0.581 . . . . 0.0 109.875 -178.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.14 -28.56 20.82 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -177.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.493 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 74.3 t80 -64.2 -38.36 90.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 122.359 -0.213 . . . . 0.0 111.065 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -68.11 -19.22 64.82 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.715 0.406 . . . . 0.0 111.896 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -76.58 -21.68 55.29 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.475 ' HA ' HD12 ' A' ' 55' ' ' LEU . 84.6 mt -99.45 -34.13 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.711 0.804 . . . . 0.0 110.955 -173.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.493 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 26.5 mm-40 -78.29 3.0 16.63 Favored 'General case' 0 C--O 1.231 0.112 0 O-C-N 122.195 -0.316 . . . . 0.0 111.69 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.43 -9.57 49.48 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 122.85 0.46 . . . . 0.0 110.985 174.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.05 44.51 0.17 Allowed Glycine 0 C--N 1.342 0.903 0 CA-C-O 119.486 -0.619 . . . . 0.0 112.12 176.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 51' ' ' ILE . 5.4 mt -135.29 2.59 3.03 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -169.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.448 ' CG2' HE22 ' A' ' 52' ' ' GLN . 47.1 p -71.28 -12.3 61.37 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.037 0.835 . . . . 0.0 111.951 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.43 71.03 5.54 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 123.632 0.773 . . . . 0.0 109.908 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -48.47 -38.29 34.95 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 124.362 3.375 . . . . 0.0 114.381 -177.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 t70 . . . . . 0 N--CA 1.454 -0.269 0 C-N-CA 122.501 0.32 . . . . 0.0 111.579 -175.279 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C5'-C4'-C3' 109.884 -3.744 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 1 O4'-C1'-N19 112.324 4.124 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ' A' . . . . . 0.434 " H1'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C5'-C4'-C3' 111.141 -2.906 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.434 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.375 1 C5'-C4'-C3' 108.241 -4.839 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.523 2 O4'-C1'-N19 115.516 7.316 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ' A' . . . . . 0.4 ' C8 ' ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.766 0 C5'-C4'-C3' 110.333 -3.444 . 0.131 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ' C' . . . . . 0.595 " C2'" " H5'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C3'-C2'-C1' 104.331 3.146 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . 0.595 " H5'" " C2'" ' B' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.374 0 O5'-C5'-C4' 114.123 2.802 OUTLIER-DELTA 0.01 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . 0.593 ' C6 ' " H4'" ' B' ' 43' ' ' ' A' . . . . . . . . 0 P--O5' 1.628 3.506 0 C5'-C4'-O4' 114.656 3.897 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' C' ' 2' ' ' LEU . 4.6 mt -140.26 152.92 46.31 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.455 HD13 ' C8 ' ' D' ' 41' ' ' ' A' . 4.0 mp -128.88 140.07 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.48 HD13 ' C2 ' ' D' ' 38' ' ' ' A' . 4.2 mm? -132.61 163.37 29.05 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.261 1.424 . . . . 0.0 109.098 -173.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.88 110.34 7.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 169.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -125.41 151.02 46.72 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 124.402 1.081 . . . . 0.0 109.297 -172.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -114.0 168.8 9.5 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 119.385 0.993 . . . . 0.0 111.417 176.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.459 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 9.1 m -57.29 132.48 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.011 -172.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.22 1.1 61.15 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.428 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -110.32 -178.73 3.58 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 117.767 0.783 . . . . 0.0 110.223 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 43.8 m -143.28 168.7 19.17 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -170.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 58.7 mt -142.28 164.6 17.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 125.899 1.68 . . . . 0.0 106.61 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -140.67 153.73 46.1 Favored 'General case' 0 C--O 1.23 0.05 0 O-C-N 121.064 -1.023 . . . . 0.0 112.335 -173.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mt -141.26 150.46 19.98 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 C-N-CA 123.692 0.797 . . . . 0.0 109.096 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.03 -139.56 33.03 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -129.73 10.57 5.58 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.284 0.633 . . . . 0.0 109.738 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -143.2 11.34 1.75 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.435 0.694 . . . . 0.0 111.426 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.3 143.7 40.38 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 CA-C-N 118.929 0.786 . . . . 0.0 110.922 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -140.87 157.59 45.16 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.2 mm -133.46 146.18 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.2 m -138.56 143.78 39.58 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.403 HG13 ' HA ' ' C' ' 8' ' ' VAL . 1.0 OUTLIER -105.46 91.36 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.783 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.552 ' CD1' " H1'" ' B' ' 42' ' ' ' C' . 16.8 mt -62.63 -31.73 72.63 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.853 -173.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.459 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 162.19 -173.15 38.46 Favored Glycine 0 C--N 1.337 0.602 0 O-C-N 122.124 -0.36 . . . . 0.0 112.335 178.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -134.45 163.29 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-O 121.054 0.454 . . . . 0.0 110.998 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -150.93 89.57 1.54 Allowed 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 176.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.47 -102.5 1.29 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . 0.46 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 23.6 mm100 -105.62 -18.31 14.12 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 117.022 0.411 . . . . 0.0 110.179 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -71.17 147.08 48.68 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 96.5 t -135.7 114.36 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 ttt-85 -88.11 126.44 35.12 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -130.12 155.23 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 -169.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.09 156.23 20.66 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 76.9 mt -140.21 134.71 36.09 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -131.97 98.67 4.5 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.191 0.52 . . . . 0.0 109.597 -173.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.42 153.28 55.34 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.214 176.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -62.97 152.33 79.87 Favored 'Trans proline' 0 N--CA 1.442 -1.508 0 C-N-CA 122.269 1.979 . . . . 0.0 108.908 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -3.28 2.75 Favored 'General case' 0 N--CA 1.46 0.047 0 CA-C-O 121.681 0.753 . . . . 0.0 110.619 175.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.09 -11.55 30.94 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 126.092 1.757 . . . . 0.0 112.332 173.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 m -133.37 167.92 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.086 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.28 152.38 20.75 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 122.313 -0.242 . . . . 0.0 111.428 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -159.65 127.03 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.23 0.039 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -154.08 171.52 18.97 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.651 0.381 . . . . 0.0 110.446 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.436 ' HG2' ' H ' ' C' ' 46' ' ' GLU . 79.3 ttt180 -67.89 154.58 41.27 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 174.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -59.32 -21.09 59.21 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.934 0.397 . . . . 0.0 110.686 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' C' ' 44' ' ' ARG . 20.6 tp10 -68.64 -48.5 63.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.296 0.638 . . . . 0.0 110.608 177.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm -77.24 -25.86 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-O 120.856 0.36 . . . . 0.0 110.391 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.49 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 85.1 t80 -61.5 -28.73 69.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.541 0.737 . . . . 0.0 112.005 -178.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -72.78 -21.41 61.0 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -177.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -76.54 -19.49 57.88 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 89.7 mt -99.37 -46.97 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 123.13 0.572 . . . . 0.0 110.208 -172.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.49 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 71.7 mm-40 -70.29 2.4 3.84 Favored 'General case' 0 C--N 1.334 -0.091 0 O-C-N 121.971 -0.456 . . . . 0.0 112.048 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.43 -16.31 62.17 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 122.586 0.354 . . . . 0.0 111.05 174.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.84 19.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 CA-C-O 118.829 -0.984 . . . . 0.0 113.971 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.401 ' C ' HD12 ' C' ' 55' ' ' LEU . 3.5 pp -158.17 -176.81 6.12 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 119.101 1.451 . . . . 0.0 113.292 -169.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.4 p -144.05 9.4 1.48 Allowed 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 124.956 1.302 . . . . 0.0 109.907 172.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.92 121.96 4.17 Favored Pre-proline 0 N--CA 1.452 -0.358 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -45.77 -38.1 17.12 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 124.383 3.389 . . . . 0.0 114.312 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 36.0 t70 . . . . . 0 N--CA 1.454 -0.275 0 C-N-CA 122.101 0.16 . . . . 0.0 111.339 -176.383 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.822 0 C5'-C4'-C3' 110.389 -3.408 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 C5'-C4'-C3' 111.026 -2.983 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 38' ' ' ' A' . . . . . 0.538 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.839 0 O4'-C1'-N19 111.315 3.115 . 0.088 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 39' ' ' ' G' . . . . . 0.538 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 P-O3'-C3' 122.043 1.953 . 0.092 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 2 O4'-C1'-N19 115.437 7.237 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 41' ' ' ' A' . . . . . 0.455 ' C8 ' HD13 ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 C5'-C4'-C3' 110.955 -3.03 . 0.157 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 42' ' ' ' C' . . . . . 0.421 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.889 0 O4'-C1'-N19 111.489 3.289 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.938 0 O5'-C5'-C4' 112.618 1.727 . 0.14 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C5'-C4'-C3' 110.967 -3.022 . 0.477 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.448 ' HG ' " O4'" ' B' ' 40' ' ' ' G' . 0.7 OUTLIER -132.63 156.43 46.94 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.733 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.438 HG22 ' H62' ' B' ' 43' ' ' ' A' . 4.3 mp -131.92 148.37 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.1 mt -142.67 165.22 27.99 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.682 0.793 . . . . 0.0 109.947 -176.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.52 95.92 2.95 Favored 'General case' 0 C--N 1.337 0.051 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 173.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -104.62 178.24 4.62 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.321 1.049 . . . . 0.0 109.038 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HE2' ' OE1' ' C' ' 29' ' ' GLN . 18.5 ptpt -133.15 172.97 11.94 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 118.476 0.58 . . . . 0.0 110.368 171.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.458 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 10.7 m -58.66 132.93 23.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -171.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.51 -9.0 58.77 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.576 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -92.77 179.03 5.6 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.226 1.013 . . . . 0.0 111.23 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.8 m -142.88 168.03 20.66 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.133 0.492 . . . . 0.0 112.018 -174.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mt -145.34 167.32 9.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 125.699 1.6 . . . . 0.0 107.241 -177.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -140.89 154.78 46.29 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 121.441 -0.787 . . . . 0.0 112.663 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.9 mt -140.67 150.4 20.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 124.261 1.024 . . . . 0.0 108.914 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.3 -140.47 36.13 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -129.08 10.51 5.87 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.388 0.675 . . . . 0.0 109.572 177.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -143.92 11.95 1.62 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.553 0.741 . . . . 0.0 111.98 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -127.99 146.29 33.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 CA-C-N 119.19 0.905 . . . . 0.0 110.6 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 42.9 m -138.37 154.75 48.94 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.977 0.911 . . . . 0.0 108.588 177.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -135.19 147.76 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.2 m -141.22 147.15 37.85 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -105.17 94.54 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.57 -27.37 67.67 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.877 -172.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.458 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 158.56 -171.72 35.36 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.8 m -127.36 162.56 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 CA-C-O 120.957 0.408 . . . . 0.0 110.933 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.5 t -150.43 75.91 1.24 Allowed 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 177.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.17 -138.85 33.24 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.242 -1.543 . . . . 0.0 109.242 -173.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -68.56 -12.12 60.86 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 117.384 0.592 . . . . 0.0 111.787 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.597 ' CG ' HG22 ' C' ' 5' ' ' THR . 1.2 tp-100 -83.65 152.57 24.7 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.6 t -137.34 129.5 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -93.22 126.55 38.39 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mt -134.23 155.14 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -169.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.14 156.78 21.95 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.9 mt -140.38 142.6 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -140.35 106.44 5.21 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.59 157.74 41.03 Favored Pre-proline 0 C--O 1.233 0.213 0 C-N-CA 123.613 0.765 . . . . 0.0 109.51 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -64.32 158.68 47.53 Favored 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 122.96 2.44 . . . . 0.0 110.638 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -69.31 -0.86 6.85 Favored 'General case' 0 CA--C 1.527 0.072 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 173.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.6 -10.32 55.18 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 125.065 1.346 . . . . 0.0 111.271 174.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 m -137.23 168.07 22.04 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 C-N-CA 123.318 0.647 . . . . 0.0 109.646 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.89 155.41 19.37 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.578 0.227 . . . . 0.0 110.882 -177.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -157.11 126.27 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -153.06 171.88 17.72 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 122.699 0.4 . . . . 0.0 110.158 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.9 mtp-105 -72.11 160.81 31.83 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -61.5 -20.81 63.61 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -73.84 -48.53 30.52 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 122.938 0.495 . . . . 0.0 111.0 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.17 -25.46 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.429 ' CE2' ' HG3' ' A' ' 52' ' ' GLN . 72.0 t80 -61.85 -37.58 85.02 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 122.032 -0.417 . . . . 0.0 111.068 -178.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -68.27 -21.19 64.82 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 122.635 0.374 . . . . 0.0 111.917 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -73.55 -20.74 60.56 Favored 'General case' 0 C--O 1.227 -0.107 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.503 ' HA ' HD12 ' A' ' 55' ' ' LEU . 80.2 mt -99.61 -33.87 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 124.163 0.985 . . . . 0.0 111.055 -174.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.429 ' HG3' ' CE2' ' A' ' 48' ' ' TYR . 24.3 mm-40 -78.46 2.57 18.52 Favored 'General case' 0 CA--C 1.523 -0.089 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.64 -9.36 49.49 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 122.882 0.473 . . . . 0.0 110.896 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.24 42.94 0.17 Allowed Glycine 0 C--N 1.343 0.939 0 CA-C-O 119.515 -0.603 . . . . 0.0 112.387 176.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 51' ' ' ILE . 5.5 mt -133.81 0.23 3.21 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -168.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.415 ' CG2' HE22 ' A' ' 52' ' ' GLN . 41.6 p -69.46 -6.2 28.88 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 118.938 0.79 . . . . 0.0 112.251 -177.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.76 73.88 10.39 Favored Pre-proline 0 CA--C 1.534 0.335 0 C-N-CA 123.487 0.715 . . . . 0.0 110.053 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -49.49 154.3 4.4 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 124.683 3.589 . . . . 0.0 113.83 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 124.345 1.058 . . . . 0.0 112.75 175.539 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 1 C5'-C4'-C3' 108.883 -4.411 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 1 C5'-C4'-C3' 109.355 -4.097 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C5'-C4'-C3' 112.214 -2.191 . 0.251 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.508 " H1'" ' C6 ' ' B' ' 41' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.407 -3.803 1 C4'-C3'-C2' 96.987 -5.713 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . 0.448 " O4'" ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.418 -2.95 1 O4'-C1'-N19 113.838 5.638 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ' A' . . . . . 0.508 ' C6 ' " H1'" ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.365 0 C5'-C4'-C3' 110.938 -3.041 . 0.207 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ' C' . . . . . 0.431 H5'' HD11 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 C4'-C3'-C2' 99.6 -3.1 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . 0.438 ' H62' HG22 ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 P-O3'-C3' 124.023 3.603 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.866 0 C3'-C2'-C1' 104.813 3.681 . 0.087 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.421 ' CD2' " H1'" ' D' ' 39' ' ' ' G' . 5.5 mt -135.06 153.22 52.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 175.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.411 ' C ' HD22 ' C' ' 4' ' ' LEU . 4.3 mp -132.94 139.26 49.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.411 HD22 ' C ' ' C' ' 3' ' ' ILE . 4.6 mm? -132.65 163.54 28.72 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.837 1.255 . . . . 0.0 109.498 -174.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.597 HG22 ' CG ' ' A' ' 29' ' ' GLN . 0.7 OUTLIER -137.12 96.7 3.33 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 172.14 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -109.4 139.04 44.86 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 125.196 1.398 . . . . 0.0 110.598 -171.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -84.61 158.97 20.71 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 110.436 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.406 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 23.9 m -61.22 138.62 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.089 0.471 . . . . 0.0 110.072 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.38 1.24 75.3 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.623 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -106.88 179.15 4.35 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.103 0.952 . . . . 0.0 110.195 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -140.53 168.09 20.63 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -171.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 64.6 mt -143.75 164.64 14.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 126.293 1.837 . . . . 0.0 106.797 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -136.85 154.16 50.58 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 121.378 -0.826 . . . . 0.0 112.357 -175.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.5 mt -139.8 149.88 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.88 -140.06 35.32 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -129.23 10.48 5.8 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 123.677 0.791 . . . . 0.0 109.719 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -145.12 12.83 1.41 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.564 0.746 . . . . 0.0 111.862 -175.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.59 145.83 34.94 Favored 'Isoleucine or valine' 0 C--N 1.342 0.28 0 CA-C-N 118.7 0.682 . . . . 0.0 110.439 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 58.6 m -140.62 154.45 46.45 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.601 0.76 . . . . 0.0 109.025 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.4 mm -134.07 141.58 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 52.3 m -140.3 121.4 14.73 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.406 HG22 ' H ' ' C' ' 22' ' ' ILE . 1.4 tp -76.56 101.78 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 176.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 22.9 mt -70.79 -27.26 63.78 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 122.119 -0.363 . . . . 0.0 111.837 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.406 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 155.89 -170.89 33.75 Favored Glycine 0 C--N 1.338 0.675 0 CA-C-N 118.274 0.488 . . . . 0.0 112.814 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.02 160.72 41.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 121.304 0.573 . . . . 0.0 111.084 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -150.4 89.38 1.57 Allowed 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.96 -102.84 1.6 Allowed Glycine 0 C--N 1.337 0.585 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -106.63 -16.62 14.46 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 174.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.429 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 2.8 mp0 -67.65 152.5 45.52 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -140.54 110.25 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 N-CA-C 105.147 -2.168 . . . . 0.0 105.147 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -84.86 132.62 34.37 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -135.47 154.12 34.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -170.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.72 152.16 19.22 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.3 mt -140.14 145.53 26.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -140.66 107.14 5.29 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.85 155.76 44.39 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 123.265 0.626 . . . . 0.0 110.477 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.95 157.22 53.94 Favored 'Trans proline' 0 N--CA 1.45 -1.088 0 C-N-CA 123.586 2.857 . . . . 0.0 111.236 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -71.81 -1.44 14.12 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 120.917 0.389 . . . . 0.0 110.615 176.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -71.18 -7.32 45.95 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.269 1.028 . . . . 0.0 110.524 172.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.19 169.6 17.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 124.048 0.939 . . . . 0.0 109.112 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.95 159.5 19.03 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 122.258 -0.276 . . . . 0.0 111.038 -176.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 p -156.41 122.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 123.468 0.707 . . . . 0.0 109.275 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -153.32 176.74 11.64 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 122.803 0.441 . . . . 0.0 110.073 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 161.23 29.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 175.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -60.35 -24.32 64.97 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 120.712 0.291 . . . . 0.0 110.862 -177.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -67.99 -48.01 66.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.159 0.584 . . . . 0.0 110.919 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm -77.45 -24.49 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 CA-C-O 120.668 0.27 . . . . 0.0 110.918 -173.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.511 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 81.8 t80 -61.68 -28.6 69.51 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.994 0.517 . . . . 0.0 111.696 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -73.6 -21.81 60.21 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 122.41 0.284 . . . . 0.0 111.519 -178.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -77.56 -18.5 56.87 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 122.808 0.443 . . . . 0.0 109.897 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 91.7 mt -99.42 -46.42 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.224 -172.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.511 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 80.6 mm-40 -71.19 3.25 3.7 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.74 -14.84 63.04 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 122.865 0.466 . . . . 0.0 111.691 176.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.19 16.19 0.06 OUTLIER Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.341 -0.699 . . . . 0.0 113.792 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -155.97 -167.38 2.45 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.333 1.066 . . . . 0.0 111.545 -171.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 14.8 m -136.92 -7.1 1.86 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.031 0.532 . . . . 0.0 110.605 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.97 102.34 2.83 Favored Pre-proline 0 N--CA 1.452 -0.358 0 C-N-CA 123.224 0.609 . . . . 0.0 109.429 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -47.26 -35.6 20.69 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 124.556 3.504 . . . . 0.0 113.884 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 36.9 t70 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.797 0.332 . . . . 0.0 110.758 -175.657 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 0 C5'-C4'-C3' 112.093 -2.271 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.96 0 C3'-C2'-C1' 103.53 2.256 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 38' ' ' ' A' . . . . . 0.474 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.485 2 O4'-C1'-N19 112.577 4.377 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 39' ' ' ' G' . . . . . 0.474 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.965 0 C3'-C2'-C1' 104.157 2.952 . 0.1 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 1 O4'-C1'-N19 113.67 5.47 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.877 0 C5'-C4'-C3' 109.988 -3.674 . 0.083 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 1 C3'-C2'-C1' 105.104 4.005 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 1 P-O3'-C3' 124.602 4.085 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C5'-C4'-C3' 110.806 -3.13 . 0.214 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 tpt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.413 HD21 " H1'" ' B' ' 39' ' ' ' G' . 5.4 mt -140.26 155.52 46.84 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 173.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -134.62 135.26 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -133.25 162.2 32.43 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.374 1.07 . . . . 0.0 109.803 -170.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -135.66 127.08 28.57 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 169.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.93 178.74 6.55 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 125.304 1.442 . . . . 0.0 107.701 177.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -134.89 173.28 11.88 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 118.08 0.4 . . . . 0.0 109.985 170.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.458 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 6.3 m -58.73 124.84 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.215 -172.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.89 1.05 42.3 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.687 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -109.43 -179.26 3.78 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.133 0.966 . . . . 0.0 110.81 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.6 m -145.93 168.16 21.54 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -173.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.7 mt -140.47 164.21 22.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.136 1.775 . . . . 0.0 106.947 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -138.5 154.2 48.8 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 121.394 -0.816 . . . . 0.0 111.908 -174.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -140.63 147.67 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.25 -139.11 34.74 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.319 -1.113 . . . . 0.0 110.319 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -129.56 10.49 5.65 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 123.388 0.675 . . . . 0.0 109.789 176.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -141.77 10.7 2.02 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.549 0.74 . . . . 0.0 111.937 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -128.27 145.26 35.64 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 CA-C-N 118.734 0.697 . . . . 0.0 110.201 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.4 m -141.41 155.32 45.9 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.013 0.925 . . . . 0.0 109.181 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 mm -134.63 145.3 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 m -139.95 146.85 39.69 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.43 HG13 ' HA ' ' A' ' 8' ' ' VAL . 0.9 OUTLIER -105.89 94.37 3.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.093 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.47 -26.08 66.2 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -173.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.458 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 159.4 -174.32 36.28 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-N 118.387 0.539 . . . . 0.0 112.714 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -138.64 163.77 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 117.37 0.585 . . . . 0.0 111.456 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -151.09 89.69 1.54 Allowed 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.831 0.852 . . . . 0.0 109.014 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.51 -102.48 1.39 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -106.44 -16.53 14.52 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 117.349 0.574 . . . . 0.0 109.841 175.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -68.77 147.09 52.29 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.4 t -138.9 114.33 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -84.16 126.62 33.29 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -132.62 154.97 40.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -171.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.17 154.87 20.76 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 177.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.7 mt -140.16 143.05 30.46 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -140.54 106.49 5.18 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -175.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.26 157.14 42.82 Favored Pre-proline 0 N--CA 1.45 -0.432 0 O-C-N 123.841 0.713 . . . . 0.0 110.16 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.15 159.44 46.83 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 123.561 2.841 . . . . 0.0 111.256 175.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 9.4 mmmm -74.24 -1.02 18.79 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 122.183 -0.323 . . . . 0.0 110.865 175.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.39 -7.48 43.32 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.013 0.925 . . . . 0.0 110.595 172.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.13 168.41 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.23 1.012 . . . . 0.0 108.522 178.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.67 160.64 19.11 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.615 0.245 . . . . 0.0 110.988 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.64 129.84 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -154.52 173.97 15.56 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.073 0.549 . . . . 0.0 109.743 177.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.9 mtm105 -74.32 162.45 28.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 173.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -59.97 -28.18 67.45 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.317 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -65.37 -38.93 91.53 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.035 0.534 . . . . 0.0 111.432 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.6 mm -91.72 -27.43 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 122.365 0.266 . . . . 0.0 110.774 -172.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -56.25 -29.85 61.62 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.966 0.506 . . . . 0.0 111.002 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -62.15 -15.64 47.26 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.346 0.658 . . . . 0.0 112.56 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -80.26 -40.37 27.09 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 51' ' ' ILE . 1.1 mp -66.89 -14.27 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 124.497 1.119 . . . . 0.0 109.143 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -109.51 3.2 21.02 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -141.81 -2.17 1.21 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -175.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -177.1 -12.69 0.02 OUTLIER Glycine 0 CA--C 1.526 0.743 0 CA-C-N 119.145 0.884 . . . . 0.0 113.119 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 66.44 -179.66 0.21 Allowed 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 125.645 1.578 . . . . 0.0 111.896 171.613 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.4 p -136.33 9.02 3.18 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.2 0.6 . . . . 0.0 111.163 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.63 120.86 3.46 Favored Pre-proline 0 N--CA 1.453 -0.293 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -47.85 -34.8 22.88 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 124.649 3.566 . . . . 0.0 114.201 177.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.7 t0 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -173.139 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ' U' . . . . . 0.455 " H4'" ' C5 ' ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C5'-C4'-C3' 109.875 -3.75 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . 0.475 " H3'" ' C8 ' ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.669 1 C5'-C4'-C3' 109.013 -4.325 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ' A' . . . . . 0.475 ' C8 ' " H3'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 O4'-C1'-N19 112.135 3.935 . 0.208 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.473 ' C8 ' " H1'" ' B' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 C3'-C2'-C1' 103.812 2.569 . 0.062 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 1 O4'-C1'-N19 113.673 5.473 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.507 0 C5'-C4'-C3' 110.266 -3.489 . 0.122 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ' C' . . . . . 0.463 ' C2 ' HD22 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.414 -3.235 0 C1'-C2'-O2' 104.562 -2.013 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 P-O3'-C3' 124.082 3.652 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 C3'-C2'-C1' 104.673 3.526 . 0.06 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mt -137.47 156.12 48.52 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.412 ' CD1' " H4'" ' D' ' 42' ' ' ' C' . 4.4 mp -133.98 148.32 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -146.2 165.84 27.98 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.05 0.94 . . . . 0.0 109.926 -177.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.48 96.86 3.67 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 171.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.34 162.18 13.91 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 124.877 1.271 . . . . 0.0 109.72 -176.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -121.62 168.2 12.04 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.72 1.145 . . . . 0.0 111.72 174.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.467 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 5.7 m -57.29 132.39 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.819 -172.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.34 1.15 60.93 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.578 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -108.69 179.78 4.09 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 117.634 0.717 . . . . 0.0 110.202 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 39.6 m -141.98 168.24 20.23 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -170.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.4 mt -144.67 166.6 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 126.001 1.72 . . . . 0.0 106.507 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -140.47 155.69 46.6 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 119.011 0.823 . . . . 0.0 112.168 -177.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 46.2 mt -142.22 153.79 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 124.084 0.953 . . . . 0.0 108.895 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.98 -141.33 33.31 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -128.57 10.44 6.13 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.644 0.778 . . . . 0.0 109.398 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -146.52 13.01 1.19 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.659 0.783 . . . . 0.0 111.763 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.05 147.17 32.71 Favored 'Isoleucine or valine' 0 C--N 1.34 0.196 0 CA-C-N 118.946 0.794 . . . . 0.0 110.696 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 57.6 m -139.94 154.3 47.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -134.01 146.79 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.1 m -139.71 146.95 40.23 Favored 'General case' 0 C--O 1.228 -0.039 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.405 HG13 ' HA ' ' C' ' 8' ' ' VAL . 0.8 OUTLIER -106.78 93.69 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.463 HD22 ' C2 ' ' B' ' 42' ' ' ' C' . 10.4 mt -66.38 -30.17 70.5 Favored 'General case' 0 C--N 1.341 0.22 0 O-C-N 122.067 -0.395 . . . . 0.0 111.913 -171.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 161.17 -174.89 37.82 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.798 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -137.68 161.96 32.79 Favored 'Isoleucine or valine' 0 C--N 1.338 0.106 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 45.8 t -153.7 113.99 3.96 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 172.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.13 -104.87 1.19 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -177.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -114.76 -13.29 12.05 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 117.096 0.448 . . . . 0.0 110.116 174.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -70.55 149.45 47.11 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -135.06 114.77 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -83.12 126.18 32.31 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -129.74 155.23 41.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 -173.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.62 153.03 19.77 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.8 mt -140.88 143.32 28.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -175.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -140.16 106.92 5.37 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.04 156.78 43.75 Favored Pre-proline 0 C--O 1.233 0.234 0 C-N-CA 123.533 0.733 . . . . 0.0 109.738 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.78 159.37 45.91 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 123.082 2.521 . . . . 0.0 111.038 176.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -73.01 -0.92 15.19 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-O 120.849 0.356 . . . . 0.0 110.663 175.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -72.52 -5.98 40.72 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.288 1.035 . . . . 0.0 110.671 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -138.48 168.45 19.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 123.671 0.788 . . . . 0.0 109.395 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.49 157.35 19.7 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.729 0.3 . . . . 0.0 111.362 -176.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -156.03 130.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.081 0 C-N-CA 122.742 0.417 . . . . 0.0 109.911 175.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -155.46 170.02 22.9 Favored 'General case' 0 C--N 1.338 0.067 0 C-N-CA 123.603 0.761 . . . . 0.0 109.185 176.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 ptt85 -82.44 164.17 21.15 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 175.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -55.36 -27.0 44.45 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -173.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.75 -38.95 80.47 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 122.117 -0.364 . . . . 0.0 111.856 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 22.4 mm -90.76 -28.87 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 110.67 -0.122 . . . . 0.0 110.67 -172.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.416 ' CE2' ' HG3' ' C' ' 52' ' ' GLN . 82.0 t80 -55.41 -28.57 54.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.964 0.506 . . . . 0.0 111.643 -178.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -62.61 -16.04 54.64 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.342 0.657 . . . . 0.0 112.424 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -82.36 -43.03 17.92 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.55 ' N ' HD12 ' C' ' 51' ' ' ILE . 1.1 mp -65.01 -10.39 9.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 124.245 1.018 . . . . 0.0 109.501 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.416 ' HG3' ' CE2' ' C' ' 48' ' ' TYR . 64.2 mm-40 -119.58 2.63 11.2 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 178.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -145.42 3.58 1.01 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -177.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.99 -12.7 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 CA-C-N 118.689 0.677 . . . . 0.0 112.061 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 55.19 -175.26 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 126.849 2.059 . . . . 0.0 112.746 177.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 70.3 p -135.56 3.6 3.05 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.663 0.385 . . . . 0.0 111.596 -176.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.63 61.89 4.12 Favored Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 122.788 0.435 . . . . 0.0 110.887 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -47.11 -33.44 15.33 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 124.063 3.176 . . . . 0.0 114.045 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 N--CA 1.449 -0.483 0 CA-C-O 121.079 0.466 . . . . 0.0 110.8 -175.566 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 36' ' ' ' U' . . . . . 0.461 " H3'" H5'' ' D' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 C3'-C2'-C1' 105.076 3.973 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 37' ' ' ' C' . . . . . 0.461 H5'' " H3'" ' D' ' 36' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.784 0 C5'-C4'-C3' 109.648 -3.902 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 38' ' ' ' A' . . . . . 0.415 " H1'" ' C8 ' ' D' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C5'-C4'-C3' 111.371 -2.753 . 0.057 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 39' ' ' ' G' . . . . . 0.415 ' C8 ' " H1'" ' D' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.938 1 C5'-C4'-C3' 108.776 -4.483 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 1 O4'-C1'-N19 113.494 5.294 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 41' ' ' ' A' . . . . . 0.402 ' C8 ' ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 C5'-C4'-C3' 110.274 -3.484 . 0.106 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 42' ' ' ' C' . . . . . 0.412 " H4'" ' CD1' ' C' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.952 0 O4'-C1'-N19 111.261 3.061 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C4'-C3'-C2' 100.597 -2.103 . 0.15 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 C5'-C4'-C3' 110.888 -3.075 . 0.464 6n . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_