data_6r95_residue ############################ # Computer software used # ############################ 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 6r95 _Structure_validation_residue.Date_analyzed 2019-09-20 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 ' 4' ' ' ILE . . . . . . . . . . . . . 43.4 mt . . . . . 0 C--O 1.232 0.165 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.72 -15.63 63.57 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -172.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.23 94.78 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.353 -1.467 . . . . 0.0 112.39 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.3 m -63.94 -40.64 96.92 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.836 -1.165 . . . . 0.0 112.989 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.3 tp -65.5 -45.42 83.65 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.676 1.19 . . . . 0.0 112.851 174.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.74 -34.55 74.59 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 126.143 1.777 . . . . 0.0 112.993 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -9.49 52.12 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 120.464 -1.397 . . . . 0.0 114.701 173.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -112.09 -42.92 3.65 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.679 -1.263 . . . . 0.0 110.774 175.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -96.48 -1.76 46.65 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.761 -1.212 . . . . 0.0 112.019 -174.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.23 49.61 0.86 Allowed Glycine 0 C--N 1.346 1.115 0 CA-C-O 116.931 -2.038 . . . . 0.0 115.387 175.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -62.61 -22.48 74.01 Favored 'Trans proline' 0 C--N 1.348 0.505 1 CA-C-N 124.597 4.199 . . . . 0.0 112.052 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.81 -44.07 81.62 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.32 2.248 . . . . 0.0 112.623 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.67 -42.18 51.94 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.917 -1.115 . . . . 0.0 111.936 172.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.351 0.662 0 C-N-CA 124.321 1.048 . . . . 0.0 113.628 -174.214 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.41 -44.49 83.37 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 O-C-N 120.148 -1.595 . . . . 0.0 113.454 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.0 m -74.6 -25.78 59.48 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 119.496 -2.003 . . . . 0.0 111.585 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm 58.33 18.82 5.8 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 127.938 2.495 . . . . 0.0 117.142 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.352 0.704 0 O-C-N 120.178 -1.576 . . . . 0.0 114.319 -178.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.7 mt . . . . . 0 C--O 1.211 -0.942 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.77 -34.08 77.1 Favored 'General case' 0 C--N 1.369 1.423 0 O-C-N 120.542 -1.349 . . . . 0.0 113.837 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.44 -41.32 89.36 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.81 -1.181 . . . . 0.0 113.262 171.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.0 m -62.02 -39.41 92.18 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.636 -1.29 . . . . 0.0 113.847 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.6 tp -68.25 -45.81 72.17 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 125.257 1.423 . . . . 0.0 113.478 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -30.98 69.53 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 126.519 1.928 . . . . 0.0 113.76 -176.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.02 -15.2 62.83 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -106.74 -39.01 5.94 Favored 'General case' 0 C--N 1.359 0.98 0 O-C-N 121.007 -1.058 . . . . 0.0 109.681 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -95.28 -2.1 50.1 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.169 -0.957 . . . . 0.0 111.728 -174.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.68 52.26 0.77 Allowed Glycine 0 C--N 1.348 1.245 0 CA-C-O 116.875 -2.069 . . . . 0.0 114.609 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -62.67 -23.13 74.53 Favored 'Trans proline' 0 C--N 1.344 0.329 0 CA-C-N 123.935 3.867 . . . . 0.0 111.668 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -56.92 -44.27 82.27 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 127.031 2.133 . . . . 0.0 112.557 171.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.87 -42.39 57.97 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 121.0 -1.062 . . . . 0.0 111.975 172.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.352 0.704 0 C-N-CA 124.473 1.109 . . . . 0.0 113.605 -174.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.9 -35.88 76.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 120.199 -1.563 . . . . 0.0 113.207 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.1 m -94.26 -13.75 26.21 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 121.266 -0.896 . . . . 0.0 111.644 -175.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 mptt 61.16 16.51 7.26 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 127.935 2.494 . . . . 0.0 115.784 175.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.347 0.466 0 O-C-N 119.885 -1.76 . . . . 0.0 114.232 -167.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.4 mm . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 122.679 1.228 . . . . 0.0 113.697 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.25 -12.1 26.34 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -176.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -44.0 97.25 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.026 -1.671 . . . . 0.0 112.654 173.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.3 m -63.28 -41.28 98.99 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.357 1.063 . . . . 0.0 112.57 172.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.8 tp -63.7 -43.96 95.06 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 124.279 1.031 . . . . 0.0 112.755 175.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.45 98.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.828 1.651 . . . . 0.0 113.369 174.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.01 -45.02 94.33 Favored 'General case' 0 C--N 1.346 0.438 0 O-C-N 120.254 -1.529 . . . . 0.0 113.21 171.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -64.74 -41.59 95.81 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -108.63 -3.64 17.78 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 119.796 -1.815 . . . . 0.0 113.682 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.78 54.75 0.71 Allowed Glycine 0 C--N 1.345 1.073 0 CA-C-O 117.742 -1.588 . . . . 0.0 115.233 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.18 -12.02 32.99 Favored 'Trans proline' 0 C--N 1.343 0.28 0 CA-C-N 123.445 3.623 . . . . 0.0 111.921 -176.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -58.73 -44.98 90.62 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.389 1.876 . . . . 0.0 112.024 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.06 -41.46 70.71 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.109 -0.994 . . . . 0.0 112.081 173.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.349 0.58 0 C-N-CA 124.262 1.025 . . . . 0.0 113.086 -177.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.35 -44.83 83.32 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 O-C-N 120.056 -1.652 . . . . 0.0 113.57 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -74.88 -27.51 60.27 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 119.482 -2.011 . . . . 0.0 111.741 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? 58.85 18.33 6.02 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 127.834 2.453 . . . . 0.0 116.937 -175.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.352 0.707 0 O-C-N 119.921 -1.737 . . . . 0.0 114.256 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.7 mm . . . . . 0 CA--C 1.538 0.496 0 CA-C-O 122.592 1.187 . . . . 0.0 111.624 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.96 -28.51 69.04 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.23 97.04 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.381 -1.449 . . . . 0.0 112.653 171.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.4 m -63.19 -42.19 99.3 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.661 -1.274 . . . . 0.0 112.663 173.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.95 -43.77 94.82 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.141 1.377 . . . . 0.0 112.845 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.9 71.16 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.873 2.069 . . . . 0.0 112.953 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.67 13.01 4.05 Favored 'General case' 0 N--CA 1.437 -1.108 0 O-C-N 120.198 -1.564 . . . . 0.0 114.746 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.68 -46.29 2.25 Favored 'General case' 0 C--N 1.367 1.34 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.007 165.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -95.45 -2.63 48.42 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.717 -1.239 . . . . 0.0 113.268 -172.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.85 49.52 0.84 Allowed Glycine 0 C--N 1.342 0.889 0 CA-C-O 116.565 -2.241 . . . . 0.0 116.282 175.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -62.7 -23.8 74.66 Favored 'Trans proline' 0 C--N 1.345 0.389 1 CA-C-N 124.824 4.312 . . . . 0.0 112.162 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.73 -44.87 86.3 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.519 1.927 . . . . 0.0 112.642 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.3 -42.63 62.17 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.996 -1.065 . . . . 0.0 111.814 173.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.349 0.586 0 C-N-CA 124.728 1.211 . . . . 0.0 113.233 -175.491 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.3 m -67.32 -34.17 67.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 O-C-N 121.078 -1.013 . . . . 0.0 113.333 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -86.16 -9.45 56.58 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.614 -1.303 . . . . 0.0 110.271 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt 61.35 15.1 6.23 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 173.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 ptmm? . . . . . 0 C--N 1.351 0.664 0 O-C-N 119.376 -2.078 . . . . 0.0 114.981 -168.425 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.4 mt . . . . . 0 C--O 1.234 0.249 0 CA-C-O 122.335 1.064 . . . . 0.0 113.542 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.47 -15.47 63.27 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.79 -1.194 . . . . 0.0 114.133 -172.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.9 -40.8 94.5 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.362 -1.461 . . . . 0.0 112.746 171.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -66.24 -41.42 90.01 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 119.885 -1.76 . . . . 0.0 112.495 170.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.4 tp -62.32 -44.26 96.92 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 120.852 -1.155 . . . . 0.0 113.207 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.51 10.23 18.38 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.847 1.259 . . . . 0.0 112.37 -175.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.39 -25.75 8.26 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.153 0.981 . . . . 0.0 108.468 169.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -46.73 46.21 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.61 -1.306 . . . . 0.0 112.408 169.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -100.53 3.91 43.15 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.789 0.836 . . . . 0.0 110.892 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.1 47.05 1.08 Allowed Glycine 0 C--N 1.348 1.224 0 CA-C-O 116.48 -2.289 . . . . 0.0 116.25 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -61.88 -23.82 76.4 Favored 'Trans proline' 0 C--N 1.346 0.446 1 CA-C-N 125.181 4.49 . . . . 0.0 112.192 177.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.47 -44.32 84.74 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.716 2.006 . . . . 0.0 112.806 172.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.2 mt -77.13 -43.19 34.96 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.901 -1.124 . . . . 0.0 111.631 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--N 1.35 0.623 0 C-N-CA 124.608 1.163 . . . . 0.0 113.612 -173.913 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.77 -39.53 82.14 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 120.635 -1.291 . . . . 0.0 113.325 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 m -78.71 -19.07 53.27 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.526 -1.359 . . . . 0.0 111.822 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt 54.39 20.72 2.86 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 117.23 2.307 . . . . 0.0 117.23 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.349 0.561 0 O-C-N 120.221 -1.549 . . . . 0.0 112.782 -175.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 mt . . . . . 0 N--CA 1.457 -0.118 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.54 -32.42 73.37 Favored 'General case' 0 C--O 1.206 -1.223 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.13 95.54 Favored 'General case' 0 C--N 1.361 1.069 0 O-C-N 120.908 -1.12 . . . . 0.0 113.268 172.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -62.18 -42.28 99.13 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.659 -1.275 . . . . 0.0 113.068 171.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.8 tp -64.35 -44.4 91.6 Favored 'General case' 0 C--O 1.241 0.658 0 C-N-CA 124.33 1.052 . . . . 0.0 113.254 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.71 70.22 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 127.215 2.206 . . . . 0.0 114.019 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.48 -36.43 76.01 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.136 -1.602 . . . . 0.0 114.493 172.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -83.76 -45.05 13.78 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.99 -1.069 . . . . 0.0 112.089 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -95.24 -1.71 51.03 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 121.125 -0.985 . . . . 0.0 112.412 -170.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.75 53.75 0.72 Allowed Glycine 0 C--N 1.344 1.005 0 CA-C-O 117.393 -1.782 . . . . 0.0 113.984 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -62.97 -22.66 73.93 Favored 'Trans proline' 0 C--N 1.347 0.487 0 CA-C-N 123.499 3.649 . . . . 0.0 112.038 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.61 -44.89 81.59 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 127.111 2.165 . . . . 0.0 112.591 171.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.99 -42.97 56.51 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.676 -1.265 . . . . 0.0 111.804 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 C--N 1.351 0.63 0 C-N-CA 125.45 1.5 . . . . 0.0 114.254 -175.259 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.37 -41.35 92.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 120.755 -1.216 . . . . 0.0 113.633 -175.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 m -96.57 -0.81 48.17 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.096 -1.627 . . . . 0.0 110.228 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt 53.41 23.14 3.18 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 128.35 2.66 . . . . 0.0 117.626 174.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.354 0.802 0 O-C-N 120.013 -1.679 . . . . 0.0 114.742 -167.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.3 mt . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.95 -26.02 68.13 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.711 -1.243 . . . . 0.0 114.248 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.03 98.31 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.444 -1.41 . . . . 0.0 112.785 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.0 m -63.41 -41.73 98.73 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.844 -1.16 . . . . 0.0 112.791 173.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.0 tp -63.55 -43.51 96.85 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 124.821 1.249 . . . . 0.0 113.054 173.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.89 71.23 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 125.915 1.686 . . . . 0.0 112.864 174.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.24 15.4 2.94 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 120.294 -1.503 . . . . 0.0 112.881 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.47 -47.56 2.1 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.276 -1.515 . . . . 0.0 109.357 163.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -97.84 -1.04 44.02 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 121.02 -1.05 . . . . 0.0 112.952 -170.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.72 47.7 1.01 Allowed Glycine 0 C--N 1.346 1.11 0 CA-C-O 116.604 -2.22 . . . . 0.0 115.721 175.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -62.4 -24.45 75.65 Favored 'Trans proline' 0 C--N 1.347 0.48 1 CA-C-N 124.951 4.375 . . . . 0.0 112.451 -178.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -57.78 -46.85 84.0 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 125.946 1.698 . . . . 0.0 112.459 173.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.66 -42.33 64.44 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.902 -1.124 . . . . 0.0 111.928 174.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 C--N 1.35 0.624 0 C-N-CA 124.761 1.225 . . . . 0.0 113.012 -176.131 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.99 -43.58 89.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 120.332 -1.48 . . . . 0.0 112.77 176.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -67.38 -38.2 84.35 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 120.394 -1.441 . . . . 0.0 112.118 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm 59.51 18.37 6.9 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 128.047 2.539 . . . . 0.0 115.525 -172.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.346 0.427 0 O-C-N 120.885 -1.134 . . . . 0.0 111.167 -175.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.8 mm . . . . . 0 C--O 1.235 0.313 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.17 -13.89 59.28 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.137 1.375 . . . . 0.0 114.342 -176.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.1 82.6 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.425 -1.422 . . . . 0.0 111.603 174.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 t -66.25 -39.94 89.84 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.297 -1.502 . . . . 0.0 112.713 172.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 tp -61.13 -46.09 91.99 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.818 -1.176 . . . . 0.0 112.578 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.76 91.33 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 125.089 1.356 . . . . 0.0 113.425 172.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.62 -11.58 60.7 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 119.943 -1.723 . . . . 0.0 113.803 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.31 -52.45 4.35 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.601 -1.312 . . . . 0.0 112.222 171.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -98.44 -0.71 43.0 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.949 -1.094 . . . . 0.0 112.476 -170.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.34 55.01 0.55 Allowed Glycine 0 C--N 1.346 1.122 0 CA-C-O 117.369 -1.795 . . . . 0.0 114.886 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -63.83 -20.38 68.36 Favored 'Trans proline' 0 C--N 1.345 0.389 0 CA-C-N 123.892 3.846 . . . . 0.0 112.091 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -55.96 -46.46 78.57 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 126.378 1.871 . . . . 0.0 112.148 171.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.36 -42.52 62.12 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.835 -1.165 . . . . 0.0 112.059 174.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 t80 . . . . . 0 C--N 1.349 0.557 0 C-N-CA 124.919 1.288 . . . . 0.0 114.094 -176.19 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.02 -38.69 83.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.599 0 O-C-N 120.562 -1.336 . . . . 0.0 113.976 -175.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.96 -0.99 57.1 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 119.997 -1.689 . . . . 0.0 110.516 176.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt 59.03 18.68 6.52 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 116.54 2.052 . . . . 0.0 116.54 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.349 0.583 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 -159.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.0 mt . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.16 -33.39 75.89 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 120.649 -1.282 . . . . 0.0 113.528 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.21 -42.14 98.07 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.569 -1.332 . . . . 0.0 113.192 172.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.5 m -62.82 -42.5 99.75 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.58 1.152 . . . . 0.0 112.873 173.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.44 -43.6 96.97 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.054 1.341 . . . . 0.0 112.962 173.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.02 71.71 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 125.992 1.717 . . . . 0.0 112.962 175.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.24 14.42 2.4 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.164 -1.585 . . . . 0.0 113.048 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.59 -46.27 2.15 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.173 -1.579 . . . . 0.0 109.923 163.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -96.9 -2.2 44.3 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.863 -1.148 . . . . 0.0 112.933 -171.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.04 47.36 1.05 Allowed Glycine 0 C--N 1.346 1.097 0 CA-C-O 116.443 -2.31 . . . . 0.0 115.846 175.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -62.51 -24.5 75.36 Favored 'Trans proline' 0 C--N 1.348 0.505 1 CA-C-N 125.174 4.487 . . . . 0.0 112.412 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.13 -46.43 85.63 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 125.95 1.7 . . . . 0.0 112.335 172.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -72.28 -41.96 66.07 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.941 -1.1 . . . . 0.0 111.968 174.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.1 t80 . . . . . 0 C--N 1.35 0.616 0 C-N-CA 124.649 1.18 . . . . 0.0 112.891 -176.74 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -68.18 -43.19 85.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 O-C-N 120.35 -1.469 . . . . 0.0 112.944 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.5 m -66.7 -40.96 88.71 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.586 -1.321 . . . . 0.0 112.377 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 mtmm 56.55 20.7 5.08 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 128.01 2.524 . . . . 0.0 116.165 -170.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.351 0.646 0 O-C-N 120.52 -1.363 . . . . 0.0 111.497 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.8 mt . . . . . 0 C--O 1.233 0.208 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.13 -26.27 68.21 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -175.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.39 92.57 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.277 -1.515 . . . . 0.0 113.182 173.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.72 -40.87 98.52 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.777 -1.202 . . . . 0.0 112.744 172.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 tp -65.44 -46.6 79.26 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.578 -1.326 . . . . 0.0 113.072 172.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.75 84.09 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.505 1.922 . . . . 0.0 114.096 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.89 94.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 120.53 -1.357 . . . . 0.0 113.98 173.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -76.95 -44.9 29.57 Favored 'General case' 0 C--N 1.349 0.587 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -95.83 -2.78 46.79 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.982 -1.074 . . . . 0.0 111.947 -172.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.15 53.07 0.78 Allowed Glycine 0 C--N 1.344 0.998 0 CA-C-O 117.551 -1.694 . . . . 0.0 114.378 176.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.0 -13.74 37.16 Favored 'Trans proline' 0 C--N 1.345 0.371 0 CA-C-N 123.563 3.682 . . . . 0.0 111.235 -176.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -58.0 -46.39 85.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.498 1.919 . . . . 0.0 111.982 169.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.65 -42.15 67.89 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.984 -1.073 . . . . 0.0 111.798 175.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 C--N 1.349 0.581 0 C-N-CA 124.981 1.312 . . . . 0.0 112.843 -177.512 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 m -67.69 -43.37 86.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 O-C-N 120.734 -1.229 . . . . 0.0 112.991 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -81.11 -14.86 57.3 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.805 -1.185 . . . . 0.0 111.049 -176.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? 57.83 19.65 5.88 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 128.138 2.575 . . . . 0.0 117.46 167.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.351 0.636 0 O-C-N 120.304 -1.498 . . . . 0.0 113.405 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 122.002 0.906 . . . . 0.0 113.331 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.19 -20.1 62.32 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.464 -1.398 . . . . 0.0 114.207 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.42 99.28 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 120.168 -1.582 . . . . 0.0 112.183 170.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.1 m -62.33 -35.67 79.81 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.06 1.344 . . . . 0.0 113.298 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.2 tp -71.76 -47.23 55.0 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.526 1.131 . . . . 0.0 113.603 169.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.83 79.49 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 127.009 2.124 . . . . 0.0 114.838 -172.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.06 79.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.475 -1.391 . . . . 0.0 113.963 173.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.13 -44.48 19.84 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.603 1.161 . . . . 0.0 111.891 -177.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -95.74 -0.25 51.62 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 121.146 -0.971 . . . . 0.0 111.592 -174.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.78 53.42 0.8 Allowed Glycine 0 C--N 1.343 0.96 0 CA-C-O 117.258 -1.857 . . . . 0.0 114.191 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -63.14 -21.84 72.76 Favored 'Trans proline' 0 C--N 1.346 0.425 0 CA-C-N 123.737 3.768 . . . . 0.0 111.638 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -56.48 -45.15 81.1 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.942 2.097 . . . . 0.0 112.473 169.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.5 mt -73.69 -42.08 61.77 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.899 -1.125 . . . . 0.0 111.777 173.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.6 t80 . . . . . 0 C--N 1.351 0.654 0 C-N-CA 124.368 1.067 . . . . 0.0 113.466 -175.873 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.4 m -68.14 -39.68 81.69 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 O-C-N 120.35 -1.469 . . . . 0.0 113.139 174.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -67.19 -42.65 83.83 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.27 -1.518 . . . . 0.0 113.095 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.95 18.99 5.45 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 127.161 2.184 . . . . 0.0 115.508 -166.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.352 0.675 0 O-C-N 119.621 -1.925 . . . . 0.0 111.869 -177.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.7 mm . . . . . 0 C--O 1.231 0.123 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 pp -69.1 -16.86 63.77 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 120.513 -1.367 . . . . 0.0 114.588 -173.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.34 98.81 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.252 -1.53 . . . . 0.0 112.352 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.1 m -64.2 -41.31 97.12 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 121.023 -1.048 . . . . 0.0 112.474 172.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.1 tp -63.11 -46.12 88.85 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.031 0.932 . . . . 0.0 112.781 174.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.1 76.48 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 125.727 1.611 . . . . 0.0 112.615 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.85 -10.45 58.5 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 120.482 -1.386 . . . . 0.0 114.603 174.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -30.25 7.83 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.456 -2.028 . . . . 0.0 113.396 167.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -110.6 -3.58 15.86 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.774 -1.204 . . . . 0.0 112.337 -171.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.18 45.31 1.29 Allowed Glycine 0 C--N 1.346 1.103 0 CA-C-O 116.292 -2.393 . . . . 0.0 115.53 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -61.37 -25.75 80.55 Favored 'Trans proline' 0 C--N 1.349 0.555 1 CA-C-N 125.096 4.448 . . . . 0.0 112.502 -177.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -57.52 -43.91 84.67 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 126.587 1.955 . . . . 0.0 112.903 173.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -76.88 -42.69 38.8 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.697 -1.252 . . . . 0.0 111.697 172.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 C--N 1.351 0.633 0 C-N-CA 124.611 1.165 . . . . 0.0 113.59 -172.289 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.12 -40.11 86.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.215 -1.553 . . . . 0.0 112.573 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -61.88 -35.33 78.01 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 125.355 1.462 . . . . 0.0 111.53 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm 52.09 24.55 2.76 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 128.748 2.819 . . . . 0.0 116.291 -168.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? . . . . . 0 C--N 1.351 0.667 0 O-C-N 120.161 -1.587 . . . . 0.0 111.151 178.002 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.9 mt . . . . . 0 C--O 1.232 0.162 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.88 -13.4 59.55 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -169.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.71 92.54 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.305 -1.497 . . . . 0.0 112.947 172.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.6 m -64.73 -41.84 95.65 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.113 -0.992 . . . . 0.0 112.671 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.33 -47.03 83.9 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.661 1.184 . . . . 0.0 112.354 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.94 98.49 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 125.483 1.513 . . . . 0.0 113.739 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.92 88.5 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.528 -1.357 . . . . 0.0 113.72 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -70.92 -43.64 67.84 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -102.47 -4.04 25.99 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.369 -1.457 . . . . 0.0 111.997 -171.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.21 52.44 0.8 Allowed Glycine 0 C--N 1.347 1.172 0 CA-C-O 117.882 -1.51 . . . . 0.0 114.198 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.0 -11.34 30.33 Favored 'Trans proline' 0 C--N 1.344 0.328 0 CA-C-N 123.038 3.419 . . . . 0.0 112.343 -168.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -61.06 -43.6 98.65 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.966 1.706 . . . . 0.0 112.52 172.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.2 mt -68.44 -40.95 80.95 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.056 -1.027 . . . . 0.0 112.291 171.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.348 0.513 0 C-N-CA 124.38 1.072 . . . . 0.0 112.482 -177.38 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.8 m -66.65 -42.45 89.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.156 -1.59 . . . . 0.0 113.179 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -66.11 -29.32 69.61 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 120.133 -1.604 . . . . 0.0 111.601 174.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm 51.76 25.27 2.83 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 128.333 2.653 . . . . 0.0 116.1 -169.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? . . . . . 0 C--N 1.349 0.582 0 O-C-N 120.357 -1.464 . . . . 0.0 111.479 -179.602 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.3 mt . . . . . 0 CA--C 1.513 -0.459 0 CA-C-O 124.47 2.081 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -61.06 -24.6 66.32 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.426 1.49 . . . . 0.0 114.981 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.41 -44.94 89.23 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 120.544 -1.348 . . . . 0.0 114.357 174.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.3 m -61.93 -41.74 98.3 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.683 -1.26 . . . . 0.0 112.776 172.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.1 tp -63.37 -43.78 96.65 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.336 1.054 . . . . 0.0 112.651 175.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.16 98.37 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 125.407 1.483 . . . . 0.0 113.508 174.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.21 -44.53 95.05 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.085 -1.634 . . . . 0.0 113.463 171.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 tptp -64.11 -40.84 97.06 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -108.56 -3.55 17.94 Favored 'General case' 0 C--N 1.34 0.153 0 O-C-N 120.262 -1.524 . . . . 0.0 113.95 -176.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.61 53.63 0.74 Allowed Glycine 0 C--N 1.346 1.087 0 CA-C-O 117.598 -1.668 . . . . 0.0 115.834 -177.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -69.04 -9.61 26.83 Favored 'Trans proline' 0 C--N 1.343 0.28 0 CA-C-N 123.661 3.73 . . . . 0.0 112.596 -173.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -59.36 -44.39 92.7 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.834 1.254 . . . . 0.0 111.693 169.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.61 -40.82 76.37 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.29 -0.881 . . . . 0.0 112.014 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.351 0.638 0 C-N-CA 124.596 1.158 . . . . 0.0 112.667 -178.755 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.8 m -68.63 -41.37 82.75 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 O-C-N 120.415 -1.428 . . . . 0.0 113.82 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.0 m -82.22 -12.5 58.06 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.354 -1.466 . . . . 0.0 111.239 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt 44.85 30.9 0.6 Allowed 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 128.633 2.773 . . . . 0.0 116.98 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? . . . . . 0 C--N 1.355 0.81 0 O-C-N 120.337 -1.477 . . . . 0.0 112.933 -170.277 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -22.42 55.77 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 -166.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.83 88.73 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.455 -1.403 . . . . 0.0 113.266 172.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.8 m -65.01 -40.99 95.73 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.792 -1.193 . . . . 0.0 112.705 174.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.0 tp -65.14 -46.58 80.32 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 124.669 1.188 . . . . 0.0 112.319 175.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.44 77.27 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.178 1.791 . . . . 0.0 113.296 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.17 -10.84 60.08 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.59 -1.319 . . . . 0.0 114.335 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -112.6 -42.9 3.55 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.778 -1.201 . . . . 0.0 111.131 176.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -97.21 -2.12 43.51 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 120.698 -1.252 . . . . 0.0 111.512 -174.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.23 47.22 1.04 Allowed Glycine 0 C--N 1.348 1.214 0 CA-C-O 116.835 -2.092 . . . . 0.0 115.617 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -61.54 -24.05 77.5 Favored 'Trans proline' 0 C--N 1.347 0.5 1 CA-C-N 124.621 4.211 . . . . 0.0 112.605 -179.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -57.55 -44.62 85.35 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 126.768 2.027 . . . . 0.0 112.715 172.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.3 mt -72.67 -41.63 65.19 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.597 -1.314 . . . . 0.0 112.166 171.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.349 0.554 0 C-N-CA 124.84 1.256 . . . . 0.0 113.932 -173.553 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--O 1.235 0.304 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.33 -44.42 90.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 O-C-N 119.793 -1.817 . . . . 0.0 112.718 174.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -92.55 -1.15 57.15 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 121.014 -1.054 . . . . 0.0 111.988 -168.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm 47.29 28.13 0.99 Allowed 'General case' 0 C--N 1.347 0.472 0 C-N-CA 128.35 2.66 . . . . 0.0 117.277 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.356 0.886 0 O-C-N 119.258 -2.151 . . . . 0.0 112.117 -166.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 55.3 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 122.7 1.238 . . . . 0.0 112.14 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.11 -22.81 61.43 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.74 98.64 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.104 -1.623 . . . . 0.0 112.817 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.8 m -63.97 -41.96 97.38 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-O 122.059 0.933 . . . . 0.0 112.157 173.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 tp -64.12 -45.26 89.38 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.227 1.011 . . . . 0.0 112.777 175.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.07 99.14 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 125.84 1.656 . . . . 0.0 113.673 176.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.83 97.82 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.449 -1.407 . . . . 0.0 113.249 172.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -67.24 -44.91 78.26 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -104.97 -6.05 20.44 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.834 -1.166 . . . . 0.0 112.926 -172.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.39 48.81 0.9 Allowed Glycine 0 C--N 1.345 1.07 0 CA-C-O 117.046 -1.975 . . . . 0.0 115.546 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -70.46 -12.24 31.25 Favored 'Trans proline' 0 CA--C 1.517 -0.342 1 CA-C-N 124.709 4.254 . . . . 0.0 112.304 -170.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.61 -45.76 92.8 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.656 1.183 . . . . 0.0 111.667 170.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.68 -41.75 78.77 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 121.24 -0.912 . . . . 0.0 111.995 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.349 0.577 0 C-N-CA 124.458 1.103 . . . . 0.0 112.892 -179.346 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.07 -45.57 86.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.61 0 O-C-N 120.117 -1.614 . . . . 0.0 113.472 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -75.22 -27.78 59.69 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 119.638 -1.914 . . . . 0.0 111.911 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm 58.08 19.94 6.48 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 127.547 2.339 . . . . 0.0 116.308 -174.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.351 0.634 0 O-C-N 120.747 -1.22 . . . . 0.0 112.176 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 C--O 1.233 0.193 0 CA-C-O 122.425 1.107 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -53.42 -31.76 46.64 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.285 1.834 . . . . 0.0 115.727 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.64 93.82 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 119.943 -1.723 . . . . 0.0 113.223 174.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 t -62.57 -41.78 99.14 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 120.748 -1.22 . . . . 0.0 112.014 173.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 tp -66.03 -46.79 76.6 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 123.944 0.898 . . . . 0.0 113.162 173.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.41 83.52 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 126.526 1.93 . . . . 0.0 114.066 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.94 -39.06 88.06 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 120.47 -1.394 . . . . 0.0 113.886 172.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -77.38 -45.56 25.55 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -98.49 -2.72 38.2 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.129 -0.982 . . . . 0.0 112.191 -172.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.64 45.96 1.18 Allowed Glycine 0 C--N 1.346 1.092 0 CA-C-O 116.593 -2.226 . . . . 0.0 115.365 175.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -63.65 -22.73 70.11 Favored 'Trans proline' 0 C--N 1.346 0.443 1 CA-C-N 124.948 4.374 . . . . 0.0 112.278 -177.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -59.52 -41.16 89.33 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.645 1.578 . . . . 0.0 112.917 171.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.85 -42.71 60.42 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.738 -1.226 . . . . 0.0 111.978 171.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.351 0.649 0 C-N-CA 124.197 0.999 . . . . 0.0 113.272 -175.66 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.54 -44.37 79.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.084 -1.635 . . . . 0.0 113.5 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.4 m -65.25 -38.91 91.8 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 119.793 -1.817 . . . . 0.0 112.656 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm 53.77 21.64 2.8 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 128.044 2.537 . . . . 0.0 117.419 -171.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.351 0.672 0 O-C-N 120.516 -1.365 . . . . 0.0 111.952 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.8 mm . . . . . 0 N--CA 1.463 0.196 0 CA-C-O 122.353 1.073 . . . . 0.0 113.245 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 pp -56.14 -9.89 0.73 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.89 93.12 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.671 -1.893 . . . . 0.0 113.427 175.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.2 p -65.04 -41.12 95.49 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.5 -1.375 . . . . 0.0 112.869 174.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.9 tp -63.83 -45.06 91.29 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 126.408 1.883 . . . . 0.0 112.601 174.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.89 88.76 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.778 1.631 . . . . 0.0 112.487 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.48 18.96 1.34 Allowed 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 120.428 -1.42 . . . . 0.0 112.482 174.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.21 -47.85 1.33 Allowed 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 119.539 -1.976 . . . . 0.0 111.548 168.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -101.31 -1.15 34.26 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 121.449 -0.782 . . . . 0.0 111.767 -175.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.23 43.07 1.79 Allowed Glycine 0 C--N 1.349 1.255 0 CA-C-O 116.24 -2.422 . . . . 0.0 116.47 175.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -62.71 -22.35 73.85 Favored 'Trans proline' 0 C--N 1.349 0.584 1 CA-C-N 125.776 4.788 . . . . 0.0 112.35 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.14 -41.66 79.53 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 126.601 1.96 . . . . 0.0 112.845 172.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.7 mt -77.6 -44.33 28.7 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.062 -1.024 . . . . 0.0 111.697 171.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.35 0.612 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -170.688 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.73 -36.7 78.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 O-C-N 120.822 -1.174 . . . . 0.0 113.481 -175.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 m -90.14 7.79 36.17 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.274 -1.516 . . . . 0.0 109.856 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt 51.54 24.82 2.43 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 127.642 2.377 . . . . 0.0 115.892 175.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.348 0.524 0 O-C-N 119.588 -1.945 . . . . 0.0 111.509 -167.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.443 HD11 ' H ' ' A' ' 4' ' ' ILE . 5.2 mp . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 121.886 0.85 . . . . 0.0 112.505 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.7 mt -59.62 -34.22 72.49 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -178.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.37 95.77 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.057 -1.652 . . . . 0.0 113.194 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.6 m -63.73 -37.17 86.37 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.835 -1.166 . . . . 0.0 113.203 175.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.3 tp -70.33 -46.76 63.55 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 126.876 2.07 . . . . 0.0 112.568 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.23 -33.74 72.7 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 126.532 1.933 . . . . 0.0 113.194 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.5 -7.35 9.82 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 171.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -114.55 -42.33 3.3 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 120.478 -1.388 . . . . 0.0 109.769 174.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -96.15 -2.19 46.92 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.897 -1.127 . . . . 0.0 112.503 -172.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.99 50.2 0.82 Allowed Glycine 0 C--N 1.347 1.179 0 CA-C-O 117.296 -1.836 . . . . 0.0 114.794 173.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -64.44 -23.78 64.62 Favored 'Trans proline' 0 C--N 1.344 0.338 0 CA-C-N 124.016 3.908 . . . . 0.0 112.782 -173.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.67 -45.53 89.19 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.604 1.162 . . . . 0.0 112.21 173.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.84 -43.61 75.12 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 121.073 -1.017 . . . . 0.0 111.647 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.349 0.566 0 C-N-CA 124.715 1.206 . . . . 0.0 112.948 -178.145 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.32 -43.08 88.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 O-C-N 120.731 -1.231 . . . . 0.0 112.941 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 m -77.38 -15.04 59.57 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.74 -1.225 . . . . 0.0 110.958 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? 58.1 18.85 5.53 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 127.222 2.209 . . . . 0.0 116.935 171.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.349 0.567 0 O-C-N 119.913 -1.742 . . . . 0.0 113.556 -171.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 55.4 mt . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 122.602 1.191 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.21 -31.36 70.09 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.394 1.878 . . . . 0.0 113.326 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.27 93.76 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.194 -1.566 . . . . 0.0 113.54 172.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.7 t -65.25 -37.86 88.54 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.152 -1.593 . . . . 0.0 113.124 170.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.0 tp -62.47 -43.74 98.08 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.629 -1.294 . . . . 0.0 112.876 173.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.74 99.43 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 125.383 1.473 . . . . 0.0 112.723 172.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.09 40.26 0.47 Allowed 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.029 -1.67 . . . . 0.0 112.333 171.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 -61.14 0.28 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.408 1.883 . . . . 0.0 106.88 175.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -92.88 -2.95 55.41 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 121.242 -0.911 . . . . 0.0 112.737 -175.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.92 51.01 0.73 Allowed Glycine 0 C--N 1.348 1.236 0 CA-C-O 116.774 -2.126 . . . . 0.0 116.036 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -62.44 -23.06 74.82 Favored 'Trans proline' 0 C--N 1.346 0.422 1 CA-C-N 124.848 4.324 . . . . 0.0 112.392 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.92 -46.09 82.25 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 126.488 1.915 . . . . 0.0 112.524 171.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.98 -41.95 63.83 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.888 -1.132 . . . . 0.0 111.98 173.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.4 t80 . . . . . 0 C--N 1.349 0.58 0 C-N-CA 124.327 1.051 . . . . 0.0 113.399 -175.647 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.4 mt . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.1 m -68.12 -42.54 85.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 O-C-N 120.229 -1.545 . . . . 0.0 113.127 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.4 m -67.08 -38.27 85.44 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.608 -1.308 . . . . 0.0 112.368 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm 53.53 21.81 2.67 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 128.79 2.836 . . . . 0.0 118.421 -173.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.353 0.734 0 O-C-N 119.854 -1.779 . . . . 0.0 113.071 171.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 N--CA 1.437 -1.077 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp 50.52 52.26 12.05 Favored Pre-proline 0 CA--C 1.549 0.905 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.76 -29.26 35.83 Favored 'Trans proline' 0 CA--C 1.521 -0.169 0 C-N-CA 123.118 2.545 . . . . 0.0 114.532 -157.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.4 mt -42.11 -65.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.506 0 C-N-CA 127.355 2.262 . . . . 0.0 113.755 170.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.72 -15.63 63.57 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -172.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.23 94.78 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.353 -1.467 . . . . 0.0 112.39 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.3 m -63.94 -40.64 96.92 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.836 -1.165 . . . . 0.0 112.989 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.3 tp -65.5 -45.42 83.65 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.676 1.19 . . . . 0.0 112.851 174.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.74 -34.55 74.59 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 126.143 1.777 . . . . 0.0 112.993 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -9.49 52.12 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 120.464 -1.397 . . . . 0.0 114.701 173.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -112.09 -42.92 3.65 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.679 -1.263 . . . . 0.0 110.774 175.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -96.48 -1.76 46.65 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.761 -1.212 . . . . 0.0 112.019 -174.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.23 49.61 0.86 Allowed Glycine 0 C--N 1.346 1.115 0 CA-C-O 116.931 -2.038 . . . . 0.0 115.387 175.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -62.61 -22.48 74.01 Favored 'Trans proline' 0 C--N 1.348 0.505 1 CA-C-N 124.597 4.199 . . . . 0.0 112.052 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.81 -44.07 81.62 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.32 2.248 . . . . 0.0 112.623 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.67 -42.18 51.94 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.917 -1.115 . . . . 0.0 111.936 172.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -61.14 -44.37 97.43 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 124.321 1.048 . . . . 0.0 113.628 -174.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.9 -43.58 83.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.41 -44.49 83.37 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 O-C-N 120.148 -1.595 . . . . 0.0 113.454 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.0 m -74.6 -25.78 59.48 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 119.496 -2.003 . . . . 0.0 111.585 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm 58.33 18.82 5.8 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 127.938 2.495 . . . . 0.0 117.142 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.44 15.8 16.73 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.178 -1.576 . . . . 0.0 114.319 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 N--CA 1.443 -0.788 0 CA-C-O 122.446 1.117 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.07 137.9 95.72 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 124.489 1.116 . . . . 0.0 112.23 174.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -76.46 -26.45 8.66 Favored 'Trans proline' 0 C--N 1.327 -0.602 0 CA-C-N 122.954 2.091 . . . . 0.0 111.618 -162.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.7 mt -39.75 -64.84 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.942 0 C-N-CA 127.281 2.232 . . . . 0.0 115.412 166.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.77 -34.08 77.1 Favored 'General case' 0 C--N 1.369 1.423 0 O-C-N 120.542 -1.349 . . . . 0.0 113.837 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.44 -41.32 89.36 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.81 -1.181 . . . . 0.0 113.262 171.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.0 m -62.02 -39.41 92.18 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.636 -1.29 . . . . 0.0 113.847 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.6 tp -68.25 -45.81 72.17 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 125.257 1.423 . . . . 0.0 113.478 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -30.98 69.53 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 126.519 1.928 . . . . 0.0 113.76 -176.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.02 -15.2 62.83 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -106.74 -39.01 5.94 Favored 'General case' 0 C--N 1.359 0.98 0 O-C-N 121.007 -1.058 . . . . 0.0 109.681 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -95.28 -2.1 50.1 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.169 -0.957 . . . . 0.0 111.728 -174.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.68 52.26 0.77 Allowed Glycine 0 C--N 1.348 1.245 0 CA-C-O 116.875 -2.069 . . . . 0.0 114.609 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -62.67 -23.13 74.53 Favored 'Trans proline' 0 C--N 1.344 0.329 0 CA-C-N 123.935 3.867 . . . . 0.0 111.668 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -56.92 -44.27 82.27 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 127.031 2.133 . . . . 0.0 112.557 171.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.87 -42.39 57.97 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 121.0 -1.062 . . . . 0.0 111.975 172.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.0 -41.83 97.27 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 124.473 1.109 . . . . 0.0 113.605 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.38 -43.78 76.59 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.9 -35.88 76.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 120.199 -1.563 . . . . 0.0 113.207 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.1 m -94.26 -13.75 26.21 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 121.266 -0.896 . . . . 0.0 111.644 -175.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 mptt 61.16 16.51 7.26 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 127.935 2.494 . . . . 0.0 115.784 175.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.99 19.8 4.11 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 119.885 -1.76 . . . . 0.0 114.232 -167.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 N--CA 1.44 -0.955 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.08 96.41 49.3 Favored Pre-proline 0 C--N 1.347 0.47 0 O-C-N 120.888 -1.132 . . . . 0.0 108.678 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -94.57 -37.07 0.03 OUTLIER 'Trans proline' 0 CA--C 1.514 -0.52 0 CA-C-N 121.945 1.73 . . . . 0.0 110.967 -164.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.4 mm -42.06 -65.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.501 0 C-N-CA 128.337 2.655 . . . . 0.0 113.697 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.25 -12.1 26.34 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -176.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -44.0 97.25 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.026 -1.671 . . . . 0.0 112.654 173.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.3 m -63.28 -41.28 98.99 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.357 1.063 . . . . 0.0 112.57 172.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.8 tp -63.7 -43.96 95.06 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 124.279 1.031 . . . . 0.0 112.755 175.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.45 98.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.828 1.651 . . . . 0.0 113.369 174.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.01 -45.02 94.33 Favored 'General case' 0 C--N 1.346 0.438 0 O-C-N 120.254 -1.529 . . . . 0.0 113.21 171.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -64.74 -41.59 95.81 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -108.63 -3.64 17.78 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 119.796 -1.815 . . . . 0.0 113.682 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.78 54.75 0.71 Allowed Glycine 0 C--N 1.345 1.073 0 CA-C-O 117.742 -1.588 . . . . 0.0 115.233 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.18 -12.02 32.99 Favored 'Trans proline' 0 C--N 1.343 0.28 0 CA-C-N 123.445 3.623 . . . . 0.0 111.921 -176.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -58.73 -44.98 90.62 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.389 1.876 . . . . 0.0 112.024 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.06 -41.46 70.71 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.109 -0.994 . . . . 0.0 112.081 173.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -43.49 98.79 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.262 1.025 . . . . 0.0 113.086 -177.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.45 -43.96 88.73 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.35 -44.83 83.32 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 O-C-N 120.056 -1.652 . . . . 0.0 113.57 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -74.88 -27.51 60.27 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 119.482 -2.011 . . . . 0.0 111.741 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? 58.85 18.33 6.02 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 127.834 2.453 . . . . 0.0 116.937 -175.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.7 13.14 17.28 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 119.921 -1.737 . . . . 0.0 114.256 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 . . . . . 0 N--CA 1.446 -0.63 0 CA-C-O 121.54 0.686 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.27 132.56 23.45 Favored Pre-proline 0 N--CA 1.448 -0.562 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -71.54 -27.49 18.75 Favored 'Trans proline' 0 C--N 1.331 -0.37 0 C-N-CA 122.812 2.342 . . . . 0.0 113.164 -168.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.7 mm -41.03 -71.05 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 128.639 2.776 . . . . 0.0 111.624 168.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.96 -28.51 69.04 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.23 97.04 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.381 -1.449 . . . . 0.0 112.653 171.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.4 m -63.19 -42.19 99.3 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.661 -1.274 . . . . 0.0 112.663 173.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.95 -43.77 94.82 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.141 1.377 . . . . 0.0 112.845 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.9 71.16 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.873 2.069 . . . . 0.0 112.953 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.67 13.01 4.05 Favored 'General case' 0 N--CA 1.437 -1.108 0 O-C-N 120.198 -1.564 . . . . 0.0 114.746 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.68 -46.29 2.25 Favored 'General case' 0 C--N 1.367 1.34 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.007 165.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -95.45 -2.63 48.42 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.717 -1.239 . . . . 0.0 113.268 -172.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.85 49.52 0.84 Allowed Glycine 0 C--N 1.342 0.889 0 CA-C-O 116.565 -2.241 . . . . 0.0 116.282 175.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -62.7 -23.8 74.66 Favored 'Trans proline' 0 C--N 1.345 0.389 1 CA-C-N 124.824 4.312 . . . . 0.0 112.162 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.73 -44.87 86.3 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.519 1.927 . . . . 0.0 112.642 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.3 -42.63 62.17 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.996 -1.065 . . . . 0.0 111.814 173.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -60.54 -40.92 93.32 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.728 1.211 . . . . 0.0 113.233 -175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.5 -47.16 70.81 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.3 m -67.32 -34.17 67.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 O-C-N 121.078 -1.013 . . . . 0.0 113.333 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -86.16 -9.45 56.58 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.614 -1.303 . . . . 0.0 110.271 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt 61.35 15.1 6.23 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 173.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 ptmm? -148.62 29.54 0.84 Allowed 'General case' 0 C--N 1.351 0.664 0 O-C-N 119.376 -2.078 . . . . 0.0 114.981 -168.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 . . . . . 0 N--CA 1.439 -1.004 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mp 46.79 53.22 13.23 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 117.403 2.371 . . . . 0.0 117.403 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.69 -29.41 43.16 Favored 'Trans proline' 0 CA--C 1.52 -0.217 0 C-N-CA 123.084 2.523 . . . . 0.0 114.268 -158.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.4 mt -41.7 -65.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.463 0 C-N-CA 127.449 2.299 . . . . 0.0 113.542 169.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.47 -15.47 63.27 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.79 -1.194 . . . . 0.0 114.133 -172.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.9 -40.8 94.5 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.362 -1.461 . . . . 0.0 112.746 171.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -66.24 -41.42 90.01 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 119.885 -1.76 . . . . 0.0 112.495 170.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.4 tp -62.32 -44.26 96.92 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 120.852 -1.155 . . . . 0.0 113.207 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.51 10.23 18.38 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.847 1.259 . . . . 0.0 112.37 -175.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.39 -25.75 8.26 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.153 0.981 . . . . 0.0 108.468 169.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -46.73 46.21 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.61 -1.306 . . . . 0.0 112.408 169.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -100.53 3.91 43.15 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.789 0.836 . . . . 0.0 110.892 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.1 47.05 1.08 Allowed Glycine 0 C--N 1.348 1.224 0 CA-C-O 116.48 -2.289 . . . . 0.0 116.25 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -61.88 -23.82 76.4 Favored 'Trans proline' 0 C--N 1.346 0.446 1 CA-C-N 125.181 4.49 . . . . 0.0 112.192 177.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.47 -44.32 84.74 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.716 2.006 . . . . 0.0 112.806 172.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.2 mt -77.13 -43.19 34.96 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.901 -1.124 . . . . 0.0 111.631 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -61.04 -43.06 99.45 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.608 1.163 . . . . 0.0 113.612 -173.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.27 -44.34 83.9 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.77 -39.53 82.14 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 120.635 -1.291 . . . . 0.0 113.325 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 m -78.71 -19.07 53.27 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.526 -1.359 . . . . 0.0 111.822 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt 54.39 20.72 2.86 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 117.23 2.307 . . . . 0.0 117.23 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.66 29.5 1.24 Allowed 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.221 -1.549 . . . . 0.0 112.782 -175.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 t80 . . . . . 0 N--CA 1.443 -0.79 0 CA-C-O 122.917 1.341 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.7 mp -87.63 133.08 38.77 Favored Pre-proline 0 N--CA 1.443 -0.801 0 O-C-N 120.419 -1.425 . . . . 0.0 110.41 -176.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -71.07 -28.28 19.28 Favored 'Trans proline' 0 C--O 1.222 -0.29 0 C-N-CA 122.214 1.943 . . . . 0.0 113.315 -168.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 mt -42.17 -65.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.662 0 C-N-CA 127.169 2.188 . . . . 0.0 113.906 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.54 -32.42 73.37 Favored 'General case' 0 C--O 1.206 -1.223 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.13 95.54 Favored 'General case' 0 C--N 1.361 1.069 0 O-C-N 120.908 -1.12 . . . . 0.0 113.268 172.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -62.18 -42.28 99.13 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.659 -1.275 . . . . 0.0 113.068 171.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.8 tp -64.35 -44.4 91.6 Favored 'General case' 0 C--O 1.241 0.658 0 C-N-CA 124.33 1.052 . . . . 0.0 113.254 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.71 70.22 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 127.215 2.206 . . . . 0.0 114.019 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.48 -36.43 76.01 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.136 -1.602 . . . . 0.0 114.493 172.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -83.76 -45.05 13.78 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.99 -1.069 . . . . 0.0 112.089 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -95.24 -1.71 51.03 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 121.125 -0.985 . . . . 0.0 112.412 -170.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.75 53.75 0.72 Allowed Glycine 0 C--N 1.344 1.005 0 CA-C-O 117.393 -1.782 . . . . 0.0 113.984 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -62.97 -22.66 73.93 Favored 'Trans proline' 0 C--N 1.347 0.487 0 CA-C-N 123.499 3.649 . . . . 0.0 112.038 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.61 -44.89 81.59 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 127.111 2.165 . . . . 0.0 112.591 171.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.99 -42.97 56.51 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.676 -1.265 . . . . 0.0 111.804 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -61.53 -40.32 94.23 Favored 'General case' 0 C--N 1.351 0.63 0 C-N-CA 125.45 1.5 . . . . 0.0 114.254 -175.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.39 -44.16 68.59 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -174.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.37 -41.35 92.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 120.755 -1.216 . . . . 0.0 113.633 -175.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 m -96.57 -0.81 48.17 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.096 -1.627 . . . . 0.0 110.228 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt 53.41 23.14 3.18 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 128.35 2.66 . . . . 0.0 117.626 174.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.74 5.45 17.63 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.013 -1.679 . . . . 0.0 114.742 -167.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 N--CA 1.445 -0.704 0 CA-C-O 122.451 1.12 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -118.36 134.88 23.39 Favored Pre-proline 0 N--CA 1.447 -0.62 0 C-N-CA 124.555 1.142 . . . . 0.0 108.453 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -69.6 -28.02 26.53 Favored 'Trans proline' 0 C--O 1.23 0.096 0 C-N-CA 122.538 2.158 . . . . 0.0 113.353 -167.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.3 mt -42.23 -65.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.404 0 C-N-CA 127.473 2.309 . . . . 0.0 113.856 169.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.95 -26.02 68.13 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.711 -1.243 . . . . 0.0 114.248 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.03 98.31 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.444 -1.41 . . . . 0.0 112.785 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.0 m -63.41 -41.73 98.73 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.844 -1.16 . . . . 0.0 112.791 173.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.0 tp -63.55 -43.51 96.85 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 124.821 1.249 . . . . 0.0 113.054 173.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.89 71.23 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 125.915 1.686 . . . . 0.0 112.864 174.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.24 15.4 2.94 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 120.294 -1.503 . . . . 0.0 112.881 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.47 -47.56 2.1 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.276 -1.515 . . . . 0.0 109.357 163.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -97.84 -1.04 44.02 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 121.02 -1.05 . . . . 0.0 112.952 -170.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.72 47.7 1.01 Allowed Glycine 0 C--N 1.346 1.11 0 CA-C-O 116.604 -2.22 . . . . 0.0 115.721 175.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -62.4 -24.45 75.65 Favored 'Trans proline' 0 C--N 1.347 0.48 1 CA-C-N 124.951 4.375 . . . . 0.0 112.451 -178.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -57.78 -46.85 84.0 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 125.946 1.698 . . . . 0.0 112.459 173.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.66 -42.33 64.44 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.902 -1.124 . . . . 0.0 111.928 174.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -60.46 -43.92 96.39 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.761 1.225 . . . . 0.0 113.012 -176.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.47 -44.48 87.04 Favored 'General case' 0 C--N 1.349 0.551 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.99 -43.58 89.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 120.332 -1.48 . . . . 0.0 112.77 176.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -67.38 -38.2 84.35 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 120.394 -1.441 . . . . 0.0 112.118 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm 59.51 18.37 6.9 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 128.047 2.539 . . . . 0.0 115.525 -172.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.41 9.84 11.05 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 120.885 -1.134 . . . . 0.0 111.167 -175.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.0 p90 . . . . . 0 N--CA 1.44 -0.971 0 CA-C-O 121.547 0.689 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mp -121.43 137.93 27.57 Favored Pre-proline 0 C--N 1.349 0.559 0 O-C-N 120.878 -1.139 . . . . 0.0 109.575 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -75.64 -28.9 7.75 Favored 'Trans proline' 0 CA--C 1.52 -0.19 0 C-N-CA 122.378 2.052 . . . . 0.0 112.45 -169.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.8 mm -42.14 -65.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.416 0 C-N-CA 127.888 2.475 . . . . 0.0 113.819 172.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.17 -13.89 59.28 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.137 1.375 . . . . 0.0 114.342 -176.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.1 82.6 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.425 -1.422 . . . . 0.0 111.603 174.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 t -66.25 -39.94 89.84 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.297 -1.502 . . . . 0.0 112.713 172.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 tp -61.13 -46.09 91.99 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.818 -1.176 . . . . 0.0 112.578 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.76 91.33 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 125.089 1.356 . . . . 0.0 113.425 172.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.62 -11.58 60.7 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 119.943 -1.723 . . . . 0.0 113.803 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.31 -52.45 4.35 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.601 -1.312 . . . . 0.0 112.222 171.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -98.44 -0.71 43.0 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.949 -1.094 . . . . 0.0 112.476 -170.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.34 55.01 0.55 Allowed Glycine 0 C--N 1.346 1.122 0 CA-C-O 117.369 -1.795 . . . . 0.0 114.886 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -63.83 -20.38 68.36 Favored 'Trans proline' 0 C--N 1.345 0.389 0 CA-C-N 123.892 3.846 . . . . 0.0 112.091 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -55.96 -46.46 78.57 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 126.378 1.871 . . . . 0.0 112.148 171.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.36 -42.52 62.12 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.835 -1.165 . . . . 0.0 112.059 174.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.1 -39.01 91.04 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.919 1.288 . . . . 0.0 114.094 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.87 -45.2 75.19 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -174.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.02 -38.69 83.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.599 0 O-C-N 120.562 -1.336 . . . . 0.0 113.976 -175.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.96 -0.99 57.1 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 119.997 -1.689 . . . . 0.0 110.516 176.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt 59.03 18.68 6.52 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 116.54 2.052 . . . . 0.0 116.54 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 6.55 23.48 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 -159.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.4 p90 . . . . . 0 N--CA 1.445 -0.692 0 CA-C-O 122.119 0.961 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp -87.16 126.8 61.53 Favored Pre-proline 0 N--CA 1.445 -0.716 0 O-C-N 120.755 -1.215 . . . . 0.0 109.624 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -68.87 -26.19 32.2 Favored 'Trans proline' 0 CA--C 1.52 -0.209 0 CA-C-N 122.768 2.024 . . . . 0.0 112.986 -167.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.0 mt -41.94 -66.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.37 0 C-N-CA 127.277 2.231 . . . . 0.0 113.902 164.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.16 -33.39 75.89 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 120.649 -1.282 . . . . 0.0 113.528 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.21 -42.14 98.07 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.569 -1.332 . . . . 0.0 113.192 172.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.5 m -62.82 -42.5 99.75 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.58 1.152 . . . . 0.0 112.873 173.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.44 -43.6 96.97 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.054 1.341 . . . . 0.0 112.962 173.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.02 71.71 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 125.992 1.717 . . . . 0.0 112.962 175.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.24 14.42 2.4 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.164 -1.585 . . . . 0.0 113.048 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.59 -46.27 2.15 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.173 -1.579 . . . . 0.0 109.923 163.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -96.9 -2.2 44.3 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.863 -1.148 . . . . 0.0 112.933 -171.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.04 47.36 1.05 Allowed Glycine 0 C--N 1.346 1.097 0 CA-C-O 116.443 -2.31 . . . . 0.0 115.846 175.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -62.51 -24.5 75.36 Favored 'Trans proline' 0 C--N 1.348 0.505 1 CA-C-N 125.174 4.487 . . . . 0.0 112.412 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.13 -46.43 85.63 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 125.95 1.7 . . . . 0.0 112.335 172.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -72.28 -41.96 66.07 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.941 -1.1 . . . . 0.0 111.968 174.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -60.59 -43.61 97.19 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 124.649 1.18 . . . . 0.0 112.891 -176.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.57 -45.36 90.8 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -68.18 -43.19 85.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 O-C-N 120.35 -1.469 . . . . 0.0 112.944 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.5 m -66.7 -40.96 88.71 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.586 -1.321 . . . . 0.0 112.377 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 mtmm 56.55 20.7 5.08 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 128.01 2.524 . . . . 0.0 116.165 -170.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.86 10.81 11.68 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.52 -1.363 . . . . 0.0 111.497 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 . . . . . 0 N--CA 1.445 -0.69 0 CA-C-O 121.698 0.761 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.34 130.81 23.97 Favored Pre-proline 0 N--CA 1.449 -0.496 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -69.54 -28.86 25.78 Favored 'Trans proline' 0 CA--C 1.52 -0.199 0 CA-C-N 122.772 2.026 . . . . 0.0 113.23 -165.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.8 mt -41.98 -65.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.399 0 C-N-CA 127.532 2.333 . . . . 0.0 113.782 170.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.13 -26.27 68.21 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -175.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.39 92.57 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.277 -1.515 . . . . 0.0 113.182 173.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.72 -40.87 98.52 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.777 -1.202 . . . . 0.0 112.744 172.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 tp -65.44 -46.6 79.26 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.578 -1.326 . . . . 0.0 113.072 172.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.75 84.09 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.505 1.922 . . . . 0.0 114.096 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.89 94.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 120.53 -1.357 . . . . 0.0 113.98 173.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -76.95 -44.9 29.57 Favored 'General case' 0 C--N 1.349 0.587 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -95.83 -2.78 46.79 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.982 -1.074 . . . . 0.0 111.947 -172.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.15 53.07 0.78 Allowed Glycine 0 C--N 1.344 0.998 0 CA-C-O 117.551 -1.694 . . . . 0.0 114.378 176.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.0 -13.74 37.16 Favored 'Trans proline' 0 C--N 1.345 0.371 0 CA-C-N 123.563 3.682 . . . . 0.0 111.235 -176.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -58.0 -46.39 85.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.498 1.919 . . . . 0.0 111.982 169.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.65 -42.15 67.89 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.984 -1.073 . . . . 0.0 111.798 175.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -60.93 -42.1 97.5 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 124.981 1.312 . . . . 0.0 112.843 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.2 mt -65.63 -46.55 78.82 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 m -67.69 -43.37 86.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 O-C-N 120.734 -1.229 . . . . 0.0 112.991 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -81.11 -14.86 57.3 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.805 -1.185 . . . . 0.0 111.049 -176.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? 57.83 19.65 5.88 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 128.138 2.575 . . . . 0.0 117.46 167.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.34 15.07 5.58 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.304 -1.498 . . . . 0.0 113.405 -177.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 . . . . . 0 N--CA 1.439 -1.008 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp 48.44 52.73 13.17 Favored Pre-proline 0 CA--C 1.55 0.968 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 175.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.48 -25.53 29.81 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.22 2.613 . . . . 0.0 113.322 -163.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.1 mm -42.02 -65.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.392 0 C-N-CA 127.62 2.368 . . . . 0.0 113.331 167.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.19 -20.1 62.32 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.464 -1.398 . . . . 0.0 114.207 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.42 99.28 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 120.168 -1.582 . . . . 0.0 112.183 170.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.1 m -62.33 -35.67 79.81 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.06 1.344 . . . . 0.0 113.298 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.2 tp -71.76 -47.23 55.0 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.526 1.131 . . . . 0.0 113.603 169.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.83 79.49 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 127.009 2.124 . . . . 0.0 114.838 -172.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.06 79.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.475 -1.391 . . . . 0.0 113.963 173.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.13 -44.48 19.84 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.603 1.161 . . . . 0.0 111.891 -177.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -95.74 -0.25 51.62 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 121.146 -0.971 . . . . 0.0 111.592 -174.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.78 53.42 0.8 Allowed Glycine 0 C--N 1.343 0.96 0 CA-C-O 117.258 -1.857 . . . . 0.0 114.191 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -63.14 -21.84 72.76 Favored 'Trans proline' 0 C--N 1.346 0.425 0 CA-C-N 123.737 3.768 . . . . 0.0 111.638 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -56.48 -45.15 81.1 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.942 2.097 . . . . 0.0 112.473 169.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.5 mt -73.69 -42.08 61.77 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.899 -1.125 . . . . 0.0 111.777 173.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -60.98 -43.93 98.12 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 124.368 1.067 . . . . 0.0 113.466 -175.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.35 -44.38 95.02 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.4 m -68.14 -39.68 81.69 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 O-C-N 120.35 -1.469 . . . . 0.0 113.139 174.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -67.19 -42.65 83.83 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.27 -1.518 . . . . 0.0 113.095 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.95 18.99 5.45 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 127.161 2.184 . . . . 0.0 115.508 -166.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.78 16.1 7.47 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 119.621 -1.925 . . . . 0.0 111.869 -177.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 . . . . . 0 N--CA 1.437 -1.096 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.2 mp 46.52 54.54 14.91 Favored Pre-proline 0 CA--C 1.548 0.901 0 N-CA-C 117.368 2.359 . . . . 0.0 117.368 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.5 -24.8 35.81 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.28 2.653 . . . . 0.0 113.505 -163.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.7 mm -42.06 -65.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.389 0 C-N-CA 127.909 2.484 . . . . 0.0 113.48 168.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 pp -69.1 -16.86 63.77 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 120.513 -1.367 . . . . 0.0 114.588 -173.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.34 98.81 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.252 -1.53 . . . . 0.0 112.352 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.1 m -64.2 -41.31 97.12 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 121.023 -1.048 . . . . 0.0 112.474 172.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.1 tp -63.11 -46.12 88.85 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.031 0.932 . . . . 0.0 112.781 174.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.1 76.48 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 125.727 1.611 . . . . 0.0 112.615 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.85 -10.45 58.5 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 120.482 -1.386 . . . . 0.0 114.603 174.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -30.25 7.83 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.456 -2.028 . . . . 0.0 113.396 167.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -110.6 -3.58 15.86 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.774 -1.204 . . . . 0.0 112.337 -171.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.18 45.31 1.29 Allowed Glycine 0 C--N 1.346 1.103 0 CA-C-O 116.292 -2.393 . . . . 0.0 115.53 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -61.37 -25.75 80.55 Favored 'Trans proline' 0 C--N 1.349 0.555 1 CA-C-N 125.096 4.448 . . . . 0.0 112.502 -177.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -57.52 -43.91 84.67 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 126.587 1.955 . . . . 0.0 112.903 173.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -76.88 -42.69 38.8 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.697 -1.252 . . . . 0.0 111.697 172.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -60.68 -45.64 93.37 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.611 1.165 . . . . 0.0 113.59 -172.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.64 -45.62 82.31 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.12 -40.11 86.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.215 -1.553 . . . . 0.0 112.573 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -61.88 -35.33 78.01 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 125.355 1.462 . . . . 0.0 111.53 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm 52.09 24.55 2.76 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 128.748 2.819 . . . . 0.0 116.291 -168.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -99.44 -6.17 28.14 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.161 -1.587 . . . . 0.0 111.151 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 N--CA 1.438 -1.058 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.3 mt 48.41 47.53 4.84 Favored Pre-proline 0 CA--C 1.547 0.861 0 N-CA-C 118.344 2.72 . . . . 0.0 118.344 170.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.43 -29.38 37.8 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.974 2.449 . . . . 0.0 114.531 -157.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.9 mt -42.07 -65.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.455 0 C-N-CA 127.772 2.429 . . . . 0.0 113.497 170.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.88 -13.4 59.55 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -169.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.71 92.54 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.305 -1.497 . . . . 0.0 112.947 172.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.6 m -64.73 -41.84 95.65 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.113 -0.992 . . . . 0.0 112.671 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.33 -47.03 83.9 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.661 1.184 . . . . 0.0 112.354 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.94 98.49 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 125.483 1.513 . . . . 0.0 113.739 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.92 88.5 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.528 -1.357 . . . . 0.0 113.72 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -70.92 -43.64 67.84 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -102.47 -4.04 25.99 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.369 -1.457 . . . . 0.0 111.997 -171.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.21 52.44 0.8 Allowed Glycine 0 C--N 1.347 1.172 0 CA-C-O 117.882 -1.51 . . . . 0.0 114.198 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.0 -11.34 30.33 Favored 'Trans proline' 0 C--N 1.344 0.328 0 CA-C-N 123.038 3.419 . . . . 0.0 112.343 -168.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -61.06 -43.6 98.65 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.966 1.706 . . . . 0.0 112.52 172.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.2 mt -68.44 -40.95 80.95 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.056 -1.027 . . . . 0.0 112.291 171.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -60.82 -45.07 95.89 Favored 'General case' 0 C--N 1.348 0.513 0 C-N-CA 124.38 1.072 . . . . 0.0 112.482 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.7 mt -64.94 -45.34 86.2 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 176.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.8 m -66.65 -42.45 89.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.156 -1.59 . . . . 0.0 113.179 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -66.11 -29.32 69.61 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 120.133 -1.604 . . . . 0.0 111.601 174.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm 51.76 25.27 2.83 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 128.333 2.653 . . . . 0.0 116.1 -169.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -99.19 -2.57 36.45 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.357 -1.464 . . . . 0.0 111.479 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 . . . . . 0 N--CA 1.441 -0.915 0 CA-C-O 121.674 0.749 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.7 mp -141.57 143.9 31.37 Favored Pre-proline 0 N--CA 1.448 -0.537 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -75.85 -27.46 8.68 Favored 'Trans proline' 0 CA--C 1.515 -0.462 0 CA-C-N 123.038 2.121 . . . . 0.0 112.429 -166.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.3 mt -43.2 -64.64 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 C-N-CA 128.588 2.755 . . . . 0.0 113.474 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -61.06 -24.6 66.32 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.426 1.49 . . . . 0.0 114.981 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.41 -44.94 89.23 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 120.544 -1.348 . . . . 0.0 114.357 174.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.3 m -61.93 -41.74 98.3 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.683 -1.26 . . . . 0.0 112.776 172.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.1 tp -63.37 -43.78 96.65 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.336 1.054 . . . . 0.0 112.651 175.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.16 98.37 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 125.407 1.483 . . . . 0.0 113.508 174.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.21 -44.53 95.05 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.085 -1.634 . . . . 0.0 113.463 171.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 tptp -64.11 -40.84 97.06 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -108.56 -3.55 17.94 Favored 'General case' 0 C--N 1.34 0.153 0 O-C-N 120.262 -1.524 . . . . 0.0 113.95 -176.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.61 53.63 0.74 Allowed Glycine 0 C--N 1.346 1.087 0 CA-C-O 117.598 -1.668 . . . . 0.0 115.834 -177.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -69.04 -9.61 26.83 Favored 'Trans proline' 0 C--N 1.343 0.28 0 CA-C-N 123.661 3.73 . . . . 0.0 112.596 -173.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -59.36 -44.39 92.7 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.834 1.254 . . . . 0.0 111.693 169.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.61 -40.82 76.37 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.29 -0.881 . . . . 0.0 112.014 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -60.34 -43.54 96.36 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 124.596 1.158 . . . . 0.0 112.667 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.59 -44.78 77.31 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.8 m -68.63 -41.37 82.75 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 O-C-N 120.415 -1.428 . . . . 0.0 113.82 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.0 m -82.22 -12.5 58.06 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.354 -1.466 . . . . 0.0 111.239 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt 44.85 30.9 0.6 Allowed 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 128.633 2.773 . . . . 0.0 116.98 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -121.79 4.01 10.02 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.337 -1.477 . . . . 0.0 112.933 -170.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 . . . . . 0 N--CA 1.438 -1.064 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.5 tp 50.86 53.44 13.9 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 174.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -71.55 -13.07 29.95 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.751 2.301 . . . . 0.0 113.52 -156.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.3 mm -41.75 -65.1 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 128.808 2.843 . . . . 0.0 113.319 164.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -22.42 55.77 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 -166.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.83 88.73 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.455 -1.403 . . . . 0.0 113.266 172.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.8 m -65.01 -40.99 95.73 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.792 -1.193 . . . . 0.0 112.705 174.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.0 tp -65.14 -46.58 80.32 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 124.669 1.188 . . . . 0.0 112.319 175.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.44 77.27 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.178 1.791 . . . . 0.0 113.296 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.17 -10.84 60.08 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.59 -1.319 . . . . 0.0 114.335 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -112.6 -42.9 3.55 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.778 -1.201 . . . . 0.0 111.131 176.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -97.21 -2.12 43.51 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 120.698 -1.252 . . . . 0.0 111.512 -174.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.23 47.22 1.04 Allowed Glycine 0 C--N 1.348 1.214 0 CA-C-O 116.835 -2.092 . . . . 0.0 115.617 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -61.54 -24.05 77.5 Favored 'Trans proline' 0 C--N 1.347 0.5 1 CA-C-N 124.621 4.211 . . . . 0.0 112.605 -179.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -57.55 -44.62 85.35 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 126.768 2.027 . . . . 0.0 112.715 172.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.3 mt -72.67 -41.63 65.19 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.597 -1.314 . . . . 0.0 112.166 171.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.51 -43.67 96.83 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 124.84 1.256 . . . . 0.0 113.932 -173.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.2 mt -66.18 -41.34 90.42 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.33 -44.42 90.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 O-C-N 119.793 -1.817 . . . . 0.0 112.718 174.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -92.55 -1.15 57.15 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 121.014 -1.054 . . . . 0.0 111.988 -168.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm 47.29 28.13 0.99 Allowed 'General case' 0 C--N 1.347 0.472 0 C-N-CA 128.35 2.66 . . . . 0.0 117.277 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.0 -6.41 15.68 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 119.258 -2.151 . . . . 0.0 112.117 -166.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 N--CA 1.438 -1.026 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.5 tp 19.01 80.18 0.13 Allowed Pre-proline 0 C--N 1.355 0.83 0 C-N-CA 129.277 3.031 . . . . 0.0 119.019 175.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -99.7 60.01 0.05 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.378 0 CA-C-N 122.167 1.81 . . . . 0.0 110.742 -151.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 55.3 mt -42.06 -65.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.505 0 C-N-CA 128.63 2.772 . . . . 0.0 112.14 167.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.11 -22.81 61.43 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.74 98.64 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.104 -1.623 . . . . 0.0 112.817 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.8 m -63.97 -41.96 97.38 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-O 122.059 0.933 . . . . 0.0 112.157 173.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 tp -64.12 -45.26 89.38 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.227 1.011 . . . . 0.0 112.777 175.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.07 99.14 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 125.84 1.656 . . . . 0.0 113.673 176.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.83 97.82 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.449 -1.407 . . . . 0.0 113.249 172.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -67.24 -44.91 78.26 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -104.97 -6.05 20.44 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.834 -1.166 . . . . 0.0 112.926 -172.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.39 48.81 0.9 Allowed Glycine 0 C--N 1.345 1.07 0 CA-C-O 117.046 -1.975 . . . . 0.0 115.546 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -70.46 -12.24 31.25 Favored 'Trans proline' 0 CA--C 1.517 -0.342 1 CA-C-N 124.709 4.254 . . . . 0.0 112.304 -170.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.61 -45.76 92.8 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.656 1.183 . . . . 0.0 111.667 170.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.68 -41.75 78.77 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 121.24 -0.912 . . . . 0.0 111.995 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -61.39 -43.69 98.44 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.458 1.103 . . . . 0.0 112.892 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.11 -42.78 96.75 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.07 -45.57 86.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.61 0 O-C-N 120.117 -1.614 . . . . 0.0 113.472 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -75.22 -27.78 59.69 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 119.638 -1.914 . . . . 0.0 111.911 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm 58.08 19.94 6.48 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 127.547 2.339 . . . . 0.0 116.308 -174.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.69 13.23 18.57 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.747 -1.22 . . . . 0.0 112.176 -176.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 . . . . . 0 N--CA 1.438 -1.045 0 CA-C-O 121.702 0.763 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.3 tp 47.4 66.7 5.29 Favored Pre-proline 0 C--N 1.352 0.695 0 N-CA-C 117.516 2.413 . . . . 0.0 117.516 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -95.63 65.95 0.2 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 CA-C-N 122.254 1.841 . . . . 0.0 110.799 -155.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.0 mm -41.98 -65.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.531 0 C-N-CA 129.116 2.966 . . . . 0.0 112.091 167.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -53.42 -31.76 46.64 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.285 1.834 . . . . 0.0 115.727 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.64 93.82 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 119.943 -1.723 . . . . 0.0 113.223 174.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 t -62.57 -41.78 99.14 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 120.748 -1.22 . . . . 0.0 112.014 173.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 tp -66.03 -46.79 76.6 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 123.944 0.898 . . . . 0.0 113.162 173.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.41 83.52 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 126.526 1.93 . . . . 0.0 114.066 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.94 -39.06 88.06 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 120.47 -1.394 . . . . 0.0 113.886 172.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -77.38 -45.56 25.55 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -98.49 -2.72 38.2 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.129 -0.982 . . . . 0.0 112.191 -172.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.64 45.96 1.18 Allowed Glycine 0 C--N 1.346 1.092 0 CA-C-O 116.593 -2.226 . . . . 0.0 115.365 175.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -63.65 -22.73 70.11 Favored 'Trans proline' 0 C--N 1.346 0.443 1 CA-C-N 124.948 4.374 . . . . 0.0 112.278 -177.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -59.52 -41.16 89.33 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.645 1.578 . . . . 0.0 112.917 171.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.85 -42.71 60.42 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.738 -1.226 . . . . 0.0 111.978 171.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -61.18 -46.17 91.59 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.197 0.999 . . . . 0.0 113.272 -175.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.81 -42.57 94.89 Favored 'General case' 0 C--N 1.347 0.49 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 177.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.54 -44.37 79.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.084 -1.635 . . . . 0.0 113.5 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.4 m -65.25 -38.91 91.8 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 119.793 -1.817 . . . . 0.0 112.656 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm 53.77 21.64 2.8 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 128.044 2.537 . . . . 0.0 117.419 -171.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.52 21.05 7.88 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.516 -1.365 . . . . 0.0 111.952 175.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 . . . . . 0 N--CA 1.445 -0.697 0 CA-C-O 121.132 0.491 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.9 mp 78.9 172.93 0.09 OUTLIER Pre-proline 0 C--N 1.349 0.566 0 C-N-CA 127.593 2.357 . . . . 0.0 110.931 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -79.32 -30.3 2.65 Favored 'Trans proline' 0 CA--C 1.512 -0.582 0 CA-C-N 122.758 2.021 . . . . 0.0 110.795 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.8 mm -42.12 -65.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.568 0 C-N-CA 128.515 2.726 . . . . 0.0 113.245 -155.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 pp -56.14 -9.89 0.73 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.89 93.12 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.671 -1.893 . . . . 0.0 113.427 175.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.2 p -65.04 -41.12 95.49 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.5 -1.375 . . . . 0.0 112.869 174.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.9 tp -63.83 -45.06 91.29 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 126.408 1.883 . . . . 0.0 112.601 174.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.89 88.76 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.778 1.631 . . . . 0.0 112.487 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.48 18.96 1.34 Allowed 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 120.428 -1.42 . . . . 0.0 112.482 174.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.21 -47.85 1.33 Allowed 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 119.539 -1.976 . . . . 0.0 111.548 168.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -101.31 -1.15 34.26 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 121.449 -0.782 . . . . 0.0 111.767 -175.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.23 43.07 1.79 Allowed Glycine 0 C--N 1.349 1.255 0 CA-C-O 116.24 -2.422 . . . . 0.0 116.47 175.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -62.71 -22.35 73.85 Favored 'Trans proline' 0 C--N 1.349 0.584 1 CA-C-N 125.776 4.788 . . . . 0.0 112.35 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.14 -41.66 79.53 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 126.601 1.96 . . . . 0.0 112.845 172.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.7 mt -77.6 -44.33 28.7 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.062 -1.024 . . . . 0.0 111.697 171.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -61.49 -44.05 97.77 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -170.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.4 mt -72.18 -47.63 49.36 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 124.491 1.116 . . . . 0.0 113.862 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.73 -36.7 78.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 O-C-N 120.822 -1.174 . . . . 0.0 113.481 -175.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 m -90.14 7.79 36.17 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.274 -1.516 . . . . 0.0 109.856 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt 51.54 24.82 2.43 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 127.642 2.377 . . . . 0.0 115.892 175.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.71 -12.73 16.81 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 119.588 -1.945 . . . . 0.0 111.509 -167.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 . . . . . 0 N--CA 1.439 -0.984 0 CA-C-O 122.172 0.987 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.28 103.78 48.96 Favored Pre-proline 0 N--CA 1.449 -0.48 0 O-C-N 120.431 -1.418 . . . . 0.0 109.416 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -104.96 12.11 0.22 Allowed 'Trans proline' 0 CA--C 1.518 -0.325 0 CA-C-N 121.111 1.432 . . . . 0.0 110.581 -167.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.443 HD11 ' H ' ' A' ' 4' ' ' ILE . 5.2 mp -42.01 -65.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.552 0 C-N-CA 127.686 2.394 . . . . 0.0 112.505 170.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.7 mt -59.62 -34.22 72.49 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -178.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.37 95.77 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.057 -1.652 . . . . 0.0 113.194 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.6 m -63.73 -37.17 86.37 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.835 -1.166 . . . . 0.0 113.203 175.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.3 tp -70.33 -46.76 63.55 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 126.876 2.07 . . . . 0.0 112.568 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.23 -33.74 72.7 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 126.532 1.933 . . . . 0.0 113.194 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.5 -7.35 9.82 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 171.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -114.55 -42.33 3.3 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 120.478 -1.388 . . . . 0.0 109.769 174.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -96.15 -2.19 46.92 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.897 -1.127 . . . . 0.0 112.503 -172.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.99 50.2 0.82 Allowed Glycine 0 C--N 1.347 1.179 0 CA-C-O 117.296 -1.836 . . . . 0.0 114.794 173.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -64.44 -23.78 64.62 Favored 'Trans proline' 0 C--N 1.344 0.338 0 CA-C-N 124.016 3.908 . . . . 0.0 112.782 -173.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.67 -45.53 89.19 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.604 1.162 . . . . 0.0 112.21 173.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.84 -43.61 75.12 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 121.073 -1.017 . . . . 0.0 111.647 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.93 -43.51 98.7 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.715 1.206 . . . . 0.0 112.948 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.35 -45.59 79.64 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.32 -43.08 88.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 O-C-N 120.731 -1.231 . . . . 0.0 112.941 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 m -77.38 -15.04 59.57 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.74 -1.225 . . . . 0.0 110.958 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? 58.1 18.85 5.53 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 127.222 2.209 . . . . 0.0 116.935 171.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.34 22.93 2.19 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 119.913 -1.742 . . . . 0.0 113.556 -171.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 20.7 t80 . . . . . 0 N--CA 1.437 -1.086 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mp -81.88 119.49 75.36 Favored Pre-proline 0 N--CA 1.446 -0.674 0 O-C-N 120.336 -1.477 . . . . 0.0 109.512 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -77.07 -26.46 7.73 Favored 'Trans proline' 0 CA--C 1.518 -0.319 0 CA-C-N 122.457 1.913 . . . . 0.0 112.786 -157.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 55.4 mt -42.08 -65.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.455 0 C-N-CA 126.999 2.12 . . . . 0.0 112.571 164.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.21 -31.36 70.09 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.394 1.878 . . . . 0.0 113.326 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.27 93.76 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.194 -1.566 . . . . 0.0 113.54 172.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.7 t -65.25 -37.86 88.54 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.152 -1.593 . . . . 0.0 113.124 170.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.0 tp -62.47 -43.74 98.08 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.629 -1.294 . . . . 0.0 112.876 173.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.74 99.43 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 125.383 1.473 . . . . 0.0 112.723 172.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.09 40.26 0.47 Allowed 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.029 -1.67 . . . . 0.0 112.333 171.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 -61.14 0.28 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.408 1.883 . . . . 0.0 106.88 175.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -92.88 -2.95 55.41 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 121.242 -0.911 . . . . 0.0 112.737 -175.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.92 51.01 0.73 Allowed Glycine 0 C--N 1.348 1.236 0 CA-C-O 116.774 -2.126 . . . . 0.0 116.036 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -62.44 -23.06 74.82 Favored 'Trans proline' 0 C--N 1.346 0.422 1 CA-C-N 124.848 4.324 . . . . 0.0 112.392 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.92 -46.09 82.25 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 126.488 1.915 . . . . 0.0 112.524 171.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.98 -41.95 63.83 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.888 -1.132 . . . . 0.0 111.98 173.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -61.15 -43.64 98.56 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.327 1.051 . . . . 0.0 113.399 -175.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.33 -44.82 93.83 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.1 m -68.12 -42.54 85.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 O-C-N 120.229 -1.545 . . . . 0.0 113.127 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.4 m -67.08 -38.27 85.44 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.608 -1.308 . . . . 0.0 112.368 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm 53.53 21.81 2.67 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 128.79 2.836 . . . . 0.0 118.421 -173.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.33 14.42 8.95 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 119.854 -1.779 . . . . 0.0 113.071 171.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.4 mt . . . . . 0 C--O 1.232 0.165 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.72 -15.63 63.57 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -172.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.23 94.78 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.353 -1.467 . . . . 0.0 112.39 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.3 m -63.94 -40.64 96.92 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.836 -1.165 . . . . 0.0 112.989 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.3 tp -65.5 -45.42 83.65 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.676 1.19 . . . . 0.0 112.851 174.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.74 -34.55 74.59 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 126.143 1.777 . . . . 0.0 112.993 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -9.49 52.12 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 120.464 -1.397 . . . . 0.0 114.701 173.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -112.09 -42.92 3.65 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.679 -1.263 . . . . 0.0 110.774 175.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -96.48 -1.76 46.65 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.761 -1.212 . . . . 0.0 112.019 -174.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.23 49.61 0.86 Allowed Glycine 0 C--N 1.346 1.115 0 CA-C-O 116.931 -2.038 . . . . 0.0 115.387 175.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -62.61 -22.48 74.01 Favored 'Trans proline' 0 C--N 1.348 0.505 1 CA-C-N 124.597 4.199 . . . . 0.0 112.052 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.81 -44.07 81.62 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.32 2.248 . . . . 0.0 112.623 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.67 -42.18 51.94 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.917 -1.115 . . . . 0.0 111.936 172.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.351 0.662 0 C-N-CA 124.321 1.048 . . . . 0.0 113.628 -174.214 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.41 -44.49 83.37 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 O-C-N 120.148 -1.595 . . . . 0.0 113.454 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.0 m -74.6 -25.78 59.48 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 119.496 -2.003 . . . . 0.0 111.585 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm 58.33 18.82 5.8 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 127.938 2.495 . . . . 0.0 117.142 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.352 0.704 0 O-C-N 120.178 -1.576 . . . . 0.0 114.319 -178.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.7 mt . . . . . 0 C--O 1.211 -0.942 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.77 -34.08 77.1 Favored 'General case' 0 C--N 1.369 1.423 0 O-C-N 120.542 -1.349 . . . . 0.0 113.837 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.44 -41.32 89.36 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.81 -1.181 . . . . 0.0 113.262 171.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.0 m -62.02 -39.41 92.18 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.636 -1.29 . . . . 0.0 113.847 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.6 tp -68.25 -45.81 72.17 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 125.257 1.423 . . . . 0.0 113.478 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -30.98 69.53 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 126.519 1.928 . . . . 0.0 113.76 -176.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.02 -15.2 62.83 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -106.74 -39.01 5.94 Favored 'General case' 0 C--N 1.359 0.98 0 O-C-N 121.007 -1.058 . . . . 0.0 109.681 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -95.28 -2.1 50.1 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.169 -0.957 . . . . 0.0 111.728 -174.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.68 52.26 0.77 Allowed Glycine 0 C--N 1.348 1.245 0 CA-C-O 116.875 -2.069 . . . . 0.0 114.609 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -62.67 -23.13 74.53 Favored 'Trans proline' 0 C--N 1.344 0.329 0 CA-C-N 123.935 3.867 . . . . 0.0 111.668 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -56.92 -44.27 82.27 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 127.031 2.133 . . . . 0.0 112.557 171.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.87 -42.39 57.97 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 121.0 -1.062 . . . . 0.0 111.975 172.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.352 0.704 0 C-N-CA 124.473 1.109 . . . . 0.0 113.605 -174.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.9 -35.88 76.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 120.199 -1.563 . . . . 0.0 113.207 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.1 m -94.26 -13.75 26.21 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 121.266 -0.896 . . . . 0.0 111.644 -175.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 mptt 61.16 16.51 7.26 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 127.935 2.494 . . . . 0.0 115.784 175.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.347 0.466 0 O-C-N 119.885 -1.76 . . . . 0.0 114.232 -167.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.4 mm . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 122.679 1.228 . . . . 0.0 113.697 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.25 -12.1 26.34 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -176.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -44.0 97.25 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.026 -1.671 . . . . 0.0 112.654 173.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.3 m -63.28 -41.28 98.99 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.357 1.063 . . . . 0.0 112.57 172.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.8 tp -63.7 -43.96 95.06 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 124.279 1.031 . . . . 0.0 112.755 175.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.45 98.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.828 1.651 . . . . 0.0 113.369 174.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.01 -45.02 94.33 Favored 'General case' 0 C--N 1.346 0.438 0 O-C-N 120.254 -1.529 . . . . 0.0 113.21 171.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -64.74 -41.59 95.81 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -108.63 -3.64 17.78 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 119.796 -1.815 . . . . 0.0 113.682 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.78 54.75 0.71 Allowed Glycine 0 C--N 1.345 1.073 0 CA-C-O 117.742 -1.588 . . . . 0.0 115.233 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.18 -12.02 32.99 Favored 'Trans proline' 0 C--N 1.343 0.28 0 CA-C-N 123.445 3.623 . . . . 0.0 111.921 -176.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -58.73 -44.98 90.62 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.389 1.876 . . . . 0.0 112.024 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.06 -41.46 70.71 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.109 -0.994 . . . . 0.0 112.081 173.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.349 0.58 0 C-N-CA 124.262 1.025 . . . . 0.0 113.086 -177.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.35 -44.83 83.32 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 O-C-N 120.056 -1.652 . . . . 0.0 113.57 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -74.88 -27.51 60.27 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 119.482 -2.011 . . . . 0.0 111.741 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? 58.85 18.33 6.02 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 127.834 2.453 . . . . 0.0 116.937 -175.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.352 0.707 0 O-C-N 119.921 -1.737 . . . . 0.0 114.256 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.7 mm . . . . . 0 CA--C 1.538 0.496 0 CA-C-O 122.592 1.187 . . . . 0.0 111.624 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.96 -28.51 69.04 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.23 97.04 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.381 -1.449 . . . . 0.0 112.653 171.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.4 m -63.19 -42.19 99.3 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.661 -1.274 . . . . 0.0 112.663 173.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.95 -43.77 94.82 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.141 1.377 . . . . 0.0 112.845 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.9 71.16 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.873 2.069 . . . . 0.0 112.953 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.67 13.01 4.05 Favored 'General case' 0 N--CA 1.437 -1.108 0 O-C-N 120.198 -1.564 . . . . 0.0 114.746 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.68 -46.29 2.25 Favored 'General case' 0 C--N 1.367 1.34 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.007 165.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -95.45 -2.63 48.42 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.717 -1.239 . . . . 0.0 113.268 -172.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.85 49.52 0.84 Allowed Glycine 0 C--N 1.342 0.889 0 CA-C-O 116.565 -2.241 . . . . 0.0 116.282 175.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -62.7 -23.8 74.66 Favored 'Trans proline' 0 C--N 1.345 0.389 1 CA-C-N 124.824 4.312 . . . . 0.0 112.162 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.73 -44.87 86.3 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.519 1.927 . . . . 0.0 112.642 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.3 -42.63 62.17 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.996 -1.065 . . . . 0.0 111.814 173.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.349 0.586 0 C-N-CA 124.728 1.211 . . . . 0.0 113.233 -175.491 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.3 m -67.32 -34.17 67.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 O-C-N 121.078 -1.013 . . . . 0.0 113.333 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -86.16 -9.45 56.58 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.614 -1.303 . . . . 0.0 110.271 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt 61.35 15.1 6.23 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 173.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 ptmm? . . . . . 0 C--N 1.351 0.664 0 O-C-N 119.376 -2.078 . . . . 0.0 114.981 -168.425 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.4 mt . . . . . 0 C--O 1.234 0.249 0 CA-C-O 122.335 1.064 . . . . 0.0 113.542 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.47 -15.47 63.27 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.79 -1.194 . . . . 0.0 114.133 -172.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.9 -40.8 94.5 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.362 -1.461 . . . . 0.0 112.746 171.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -66.24 -41.42 90.01 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 119.885 -1.76 . . . . 0.0 112.495 170.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.4 tp -62.32 -44.26 96.92 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 120.852 -1.155 . . . . 0.0 113.207 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.51 10.23 18.38 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.847 1.259 . . . . 0.0 112.37 -175.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.39 -25.75 8.26 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.153 0.981 . . . . 0.0 108.468 169.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -46.73 46.21 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.61 -1.306 . . . . 0.0 112.408 169.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -100.53 3.91 43.15 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.789 0.836 . . . . 0.0 110.892 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.1 47.05 1.08 Allowed Glycine 0 C--N 1.348 1.224 0 CA-C-O 116.48 -2.289 . . . . 0.0 116.25 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -61.88 -23.82 76.4 Favored 'Trans proline' 0 C--N 1.346 0.446 1 CA-C-N 125.181 4.49 . . . . 0.0 112.192 177.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.47 -44.32 84.74 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.716 2.006 . . . . 0.0 112.806 172.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.2 mt -77.13 -43.19 34.96 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.901 -1.124 . . . . 0.0 111.631 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--N 1.35 0.623 0 C-N-CA 124.608 1.163 . . . . 0.0 113.612 -173.913 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.77 -39.53 82.14 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 120.635 -1.291 . . . . 0.0 113.325 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 m -78.71 -19.07 53.27 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.526 -1.359 . . . . 0.0 111.822 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt 54.39 20.72 2.86 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 117.23 2.307 . . . . 0.0 117.23 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.349 0.561 0 O-C-N 120.221 -1.549 . . . . 0.0 112.782 -175.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 mt . . . . . 0 N--CA 1.457 -0.118 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.54 -32.42 73.37 Favored 'General case' 0 C--O 1.206 -1.223 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.13 95.54 Favored 'General case' 0 C--N 1.361 1.069 0 O-C-N 120.908 -1.12 . . . . 0.0 113.268 172.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -62.18 -42.28 99.13 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.659 -1.275 . . . . 0.0 113.068 171.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.8 tp -64.35 -44.4 91.6 Favored 'General case' 0 C--O 1.241 0.658 0 C-N-CA 124.33 1.052 . . . . 0.0 113.254 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.71 70.22 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 127.215 2.206 . . . . 0.0 114.019 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.48 -36.43 76.01 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.136 -1.602 . . . . 0.0 114.493 172.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -83.76 -45.05 13.78 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.99 -1.069 . . . . 0.0 112.089 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -95.24 -1.71 51.03 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 121.125 -0.985 . . . . 0.0 112.412 -170.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.75 53.75 0.72 Allowed Glycine 0 C--N 1.344 1.005 0 CA-C-O 117.393 -1.782 . . . . 0.0 113.984 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -62.97 -22.66 73.93 Favored 'Trans proline' 0 C--N 1.347 0.487 0 CA-C-N 123.499 3.649 . . . . 0.0 112.038 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.61 -44.89 81.59 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 127.111 2.165 . . . . 0.0 112.591 171.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.99 -42.97 56.51 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.676 -1.265 . . . . 0.0 111.804 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 C--N 1.351 0.63 0 C-N-CA 125.45 1.5 . . . . 0.0 114.254 -175.259 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.37 -41.35 92.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 120.755 -1.216 . . . . 0.0 113.633 -175.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 m -96.57 -0.81 48.17 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.096 -1.627 . . . . 0.0 110.228 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt 53.41 23.14 3.18 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 128.35 2.66 . . . . 0.0 117.626 174.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.354 0.802 0 O-C-N 120.013 -1.679 . . . . 0.0 114.742 -167.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.3 mt . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.95 -26.02 68.13 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.711 -1.243 . . . . 0.0 114.248 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.03 98.31 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.444 -1.41 . . . . 0.0 112.785 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.0 m -63.41 -41.73 98.73 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.844 -1.16 . . . . 0.0 112.791 173.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.0 tp -63.55 -43.51 96.85 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 124.821 1.249 . . . . 0.0 113.054 173.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.89 71.23 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 125.915 1.686 . . . . 0.0 112.864 174.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.24 15.4 2.94 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 120.294 -1.503 . . . . 0.0 112.881 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.47 -47.56 2.1 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.276 -1.515 . . . . 0.0 109.357 163.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -97.84 -1.04 44.02 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 121.02 -1.05 . . . . 0.0 112.952 -170.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.72 47.7 1.01 Allowed Glycine 0 C--N 1.346 1.11 0 CA-C-O 116.604 -2.22 . . . . 0.0 115.721 175.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -62.4 -24.45 75.65 Favored 'Trans proline' 0 C--N 1.347 0.48 1 CA-C-N 124.951 4.375 . . . . 0.0 112.451 -178.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -57.78 -46.85 84.0 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 125.946 1.698 . . . . 0.0 112.459 173.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.66 -42.33 64.44 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.902 -1.124 . . . . 0.0 111.928 174.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 C--N 1.35 0.624 0 C-N-CA 124.761 1.225 . . . . 0.0 113.012 -176.131 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.99 -43.58 89.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 120.332 -1.48 . . . . 0.0 112.77 176.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -67.38 -38.2 84.35 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 120.394 -1.441 . . . . 0.0 112.118 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm 59.51 18.37 6.9 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 128.047 2.539 . . . . 0.0 115.525 -172.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.346 0.427 0 O-C-N 120.885 -1.134 . . . . 0.0 111.167 -175.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.8 mm . . . . . 0 C--O 1.235 0.313 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.17 -13.89 59.28 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.137 1.375 . . . . 0.0 114.342 -176.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.1 82.6 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.425 -1.422 . . . . 0.0 111.603 174.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 t -66.25 -39.94 89.84 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.297 -1.502 . . . . 0.0 112.713 172.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 tp -61.13 -46.09 91.99 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.818 -1.176 . . . . 0.0 112.578 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.76 91.33 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 125.089 1.356 . . . . 0.0 113.425 172.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.62 -11.58 60.7 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 119.943 -1.723 . . . . 0.0 113.803 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.31 -52.45 4.35 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.601 -1.312 . . . . 0.0 112.222 171.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -98.44 -0.71 43.0 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.949 -1.094 . . . . 0.0 112.476 -170.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.34 55.01 0.55 Allowed Glycine 0 C--N 1.346 1.122 0 CA-C-O 117.369 -1.795 . . . . 0.0 114.886 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -63.83 -20.38 68.36 Favored 'Trans proline' 0 C--N 1.345 0.389 0 CA-C-N 123.892 3.846 . . . . 0.0 112.091 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -55.96 -46.46 78.57 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 126.378 1.871 . . . . 0.0 112.148 171.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.36 -42.52 62.12 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.835 -1.165 . . . . 0.0 112.059 174.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 t80 . . . . . 0 C--N 1.349 0.557 0 C-N-CA 124.919 1.288 . . . . 0.0 114.094 -176.19 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.02 -38.69 83.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.599 0 O-C-N 120.562 -1.336 . . . . 0.0 113.976 -175.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.96 -0.99 57.1 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 119.997 -1.689 . . . . 0.0 110.516 176.098 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt 59.03 18.68 6.52 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 116.54 2.052 . . . . 0.0 116.54 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.349 0.583 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 -159.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.0 mt . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.16 -33.39 75.89 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 120.649 -1.282 . . . . 0.0 113.528 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.21 -42.14 98.07 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.569 -1.332 . . . . 0.0 113.192 172.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.5 m -62.82 -42.5 99.75 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.58 1.152 . . . . 0.0 112.873 173.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.44 -43.6 96.97 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.054 1.341 . . . . 0.0 112.962 173.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.02 71.71 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 125.992 1.717 . . . . 0.0 112.962 175.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.24 14.42 2.4 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.164 -1.585 . . . . 0.0 113.048 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.59 -46.27 2.15 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.173 -1.579 . . . . 0.0 109.923 163.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -96.9 -2.2 44.3 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.863 -1.148 . . . . 0.0 112.933 -171.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.04 47.36 1.05 Allowed Glycine 0 C--N 1.346 1.097 0 CA-C-O 116.443 -2.31 . . . . 0.0 115.846 175.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -62.51 -24.5 75.36 Favored 'Trans proline' 0 C--N 1.348 0.505 1 CA-C-N 125.174 4.487 . . . . 0.0 112.412 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.13 -46.43 85.63 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 125.95 1.7 . . . . 0.0 112.335 172.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -72.28 -41.96 66.07 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.941 -1.1 . . . . 0.0 111.968 174.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.1 t80 . . . . . 0 C--N 1.35 0.616 0 C-N-CA 124.649 1.18 . . . . 0.0 112.891 -176.74 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -68.18 -43.19 85.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 O-C-N 120.35 -1.469 . . . . 0.0 112.944 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.5 m -66.7 -40.96 88.71 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.586 -1.321 . . . . 0.0 112.377 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 mtmm 56.55 20.7 5.08 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 128.01 2.524 . . . . 0.0 116.165 -170.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.351 0.646 0 O-C-N 120.52 -1.363 . . . . 0.0 111.497 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.8 mt . . . . . 0 C--O 1.233 0.208 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.13 -26.27 68.21 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -175.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.39 92.57 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.277 -1.515 . . . . 0.0 113.182 173.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.72 -40.87 98.52 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.777 -1.202 . . . . 0.0 112.744 172.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 tp -65.44 -46.6 79.26 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.578 -1.326 . . . . 0.0 113.072 172.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.75 84.09 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.505 1.922 . . . . 0.0 114.096 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.89 94.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 120.53 -1.357 . . . . 0.0 113.98 173.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -76.95 -44.9 29.57 Favored 'General case' 0 C--N 1.349 0.587 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -95.83 -2.78 46.79 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.982 -1.074 . . . . 0.0 111.947 -172.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.15 53.07 0.78 Allowed Glycine 0 C--N 1.344 0.998 0 CA-C-O 117.551 -1.694 . . . . 0.0 114.378 176.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.0 -13.74 37.16 Favored 'Trans proline' 0 C--N 1.345 0.371 0 CA-C-N 123.563 3.682 . . . . 0.0 111.235 -176.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -58.0 -46.39 85.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.498 1.919 . . . . 0.0 111.982 169.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.65 -42.15 67.89 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.984 -1.073 . . . . 0.0 111.798 175.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 C--N 1.349 0.581 0 C-N-CA 124.981 1.312 . . . . 0.0 112.843 -177.512 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 m -67.69 -43.37 86.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 O-C-N 120.734 -1.229 . . . . 0.0 112.991 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -81.11 -14.86 57.3 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.805 -1.185 . . . . 0.0 111.049 -176.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? 57.83 19.65 5.88 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 128.138 2.575 . . . . 0.0 117.46 167.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.351 0.636 0 O-C-N 120.304 -1.498 . . . . 0.0 113.405 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 122.002 0.906 . . . . 0.0 113.331 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.19 -20.1 62.32 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.464 -1.398 . . . . 0.0 114.207 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.42 99.28 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 120.168 -1.582 . . . . 0.0 112.183 170.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.1 m -62.33 -35.67 79.81 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.06 1.344 . . . . 0.0 113.298 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.2 tp -71.76 -47.23 55.0 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.526 1.131 . . . . 0.0 113.603 169.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.83 79.49 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 127.009 2.124 . . . . 0.0 114.838 -172.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.06 79.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.475 -1.391 . . . . 0.0 113.963 173.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.13 -44.48 19.84 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.603 1.161 . . . . 0.0 111.891 -177.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -95.74 -0.25 51.62 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 121.146 -0.971 . . . . 0.0 111.592 -174.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.78 53.42 0.8 Allowed Glycine 0 C--N 1.343 0.96 0 CA-C-O 117.258 -1.857 . . . . 0.0 114.191 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -63.14 -21.84 72.76 Favored 'Trans proline' 0 C--N 1.346 0.425 0 CA-C-N 123.737 3.768 . . . . 0.0 111.638 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -56.48 -45.15 81.1 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.942 2.097 . . . . 0.0 112.473 169.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.5 mt -73.69 -42.08 61.77 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.899 -1.125 . . . . 0.0 111.777 173.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.6 t80 . . . . . 0 C--N 1.351 0.654 0 C-N-CA 124.368 1.067 . . . . 0.0 113.466 -175.873 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.4 m -68.14 -39.68 81.69 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 O-C-N 120.35 -1.469 . . . . 0.0 113.139 174.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -67.19 -42.65 83.83 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.27 -1.518 . . . . 0.0 113.095 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.95 18.99 5.45 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 127.161 2.184 . . . . 0.0 115.508 -166.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.352 0.675 0 O-C-N 119.621 -1.925 . . . . 0.0 111.869 -177.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.7 mm . . . . . 0 C--O 1.231 0.123 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 pp -69.1 -16.86 63.77 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 120.513 -1.367 . . . . 0.0 114.588 -173.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.34 98.81 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.252 -1.53 . . . . 0.0 112.352 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.1 m -64.2 -41.31 97.12 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 121.023 -1.048 . . . . 0.0 112.474 172.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.1 tp -63.11 -46.12 88.85 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.031 0.932 . . . . 0.0 112.781 174.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.1 76.48 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 125.727 1.611 . . . . 0.0 112.615 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.85 -10.45 58.5 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 120.482 -1.386 . . . . 0.0 114.603 174.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -30.25 7.83 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.456 -2.028 . . . . 0.0 113.396 167.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -110.6 -3.58 15.86 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.774 -1.204 . . . . 0.0 112.337 -171.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.18 45.31 1.29 Allowed Glycine 0 C--N 1.346 1.103 0 CA-C-O 116.292 -2.393 . . . . 0.0 115.53 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -61.37 -25.75 80.55 Favored 'Trans proline' 0 C--N 1.349 0.555 1 CA-C-N 125.096 4.448 . . . . 0.0 112.502 -177.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -57.52 -43.91 84.67 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 126.587 1.955 . . . . 0.0 112.903 173.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -76.88 -42.69 38.8 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.697 -1.252 . . . . 0.0 111.697 172.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 C--N 1.351 0.633 0 C-N-CA 124.611 1.165 . . . . 0.0 113.59 -172.289 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.12 -40.11 86.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.215 -1.553 . . . . 0.0 112.573 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -61.88 -35.33 78.01 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 125.355 1.462 . . . . 0.0 111.53 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm 52.09 24.55 2.76 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 128.748 2.819 . . . . 0.0 116.291 -168.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? . . . . . 0 C--N 1.351 0.667 0 O-C-N 120.161 -1.587 . . . . 0.0 111.151 178.002 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.9 mt . . . . . 0 C--O 1.232 0.162 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.88 -13.4 59.55 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -169.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.71 92.54 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.305 -1.497 . . . . 0.0 112.947 172.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.6 m -64.73 -41.84 95.65 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.113 -0.992 . . . . 0.0 112.671 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.33 -47.03 83.9 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.661 1.184 . . . . 0.0 112.354 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.94 98.49 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 125.483 1.513 . . . . 0.0 113.739 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.92 88.5 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.528 -1.357 . . . . 0.0 113.72 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -70.92 -43.64 67.84 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -102.47 -4.04 25.99 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.369 -1.457 . . . . 0.0 111.997 -171.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.21 52.44 0.8 Allowed Glycine 0 C--N 1.347 1.172 0 CA-C-O 117.882 -1.51 . . . . 0.0 114.198 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.0 -11.34 30.33 Favored 'Trans proline' 0 C--N 1.344 0.328 0 CA-C-N 123.038 3.419 . . . . 0.0 112.343 -168.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -61.06 -43.6 98.65 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.966 1.706 . . . . 0.0 112.52 172.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.2 mt -68.44 -40.95 80.95 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.056 -1.027 . . . . 0.0 112.291 171.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.348 0.513 0 C-N-CA 124.38 1.072 . . . . 0.0 112.482 -177.38 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.8 m -66.65 -42.45 89.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.156 -1.59 . . . . 0.0 113.179 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -66.11 -29.32 69.61 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 120.133 -1.604 . . . . 0.0 111.601 174.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm 51.76 25.27 2.83 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 128.333 2.653 . . . . 0.0 116.1 -169.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? . . . . . 0 C--N 1.349 0.582 0 O-C-N 120.357 -1.464 . . . . 0.0 111.479 -179.602 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.3 mt . . . . . 0 CA--C 1.513 -0.459 0 CA-C-O 124.47 2.081 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -61.06 -24.6 66.32 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.426 1.49 . . . . 0.0 114.981 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.41 -44.94 89.23 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 120.544 -1.348 . . . . 0.0 114.357 174.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.3 m -61.93 -41.74 98.3 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.683 -1.26 . . . . 0.0 112.776 172.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.1 tp -63.37 -43.78 96.65 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.336 1.054 . . . . 0.0 112.651 175.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.16 98.37 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 125.407 1.483 . . . . 0.0 113.508 174.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.21 -44.53 95.05 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.085 -1.634 . . . . 0.0 113.463 171.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 tptp -64.11 -40.84 97.06 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -108.56 -3.55 17.94 Favored 'General case' 0 C--N 1.34 0.153 0 O-C-N 120.262 -1.524 . . . . 0.0 113.95 -176.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.61 53.63 0.74 Allowed Glycine 0 C--N 1.346 1.087 0 CA-C-O 117.598 -1.668 . . . . 0.0 115.834 -177.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -69.04 -9.61 26.83 Favored 'Trans proline' 0 C--N 1.343 0.28 0 CA-C-N 123.661 3.73 . . . . 0.0 112.596 -173.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -59.36 -44.39 92.7 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.834 1.254 . . . . 0.0 111.693 169.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.61 -40.82 76.37 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.29 -0.881 . . . . 0.0 112.014 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.351 0.638 0 C-N-CA 124.596 1.158 . . . . 0.0 112.667 -178.755 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.8 m -68.63 -41.37 82.75 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 O-C-N 120.415 -1.428 . . . . 0.0 113.82 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.0 m -82.22 -12.5 58.06 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.354 -1.466 . . . . 0.0 111.239 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt 44.85 30.9 0.6 Allowed 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 128.633 2.773 . . . . 0.0 116.98 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? . . . . . 0 C--N 1.355 0.81 0 O-C-N 120.337 -1.477 . . . . 0.0 112.933 -170.277 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -22.42 55.77 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 -166.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.83 88.73 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.455 -1.403 . . . . 0.0 113.266 172.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.8 m -65.01 -40.99 95.73 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.792 -1.193 . . . . 0.0 112.705 174.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.0 tp -65.14 -46.58 80.32 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 124.669 1.188 . . . . 0.0 112.319 175.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.44 77.27 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.178 1.791 . . . . 0.0 113.296 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.17 -10.84 60.08 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.59 -1.319 . . . . 0.0 114.335 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -112.6 -42.9 3.55 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.778 -1.201 . . . . 0.0 111.131 176.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -97.21 -2.12 43.51 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 120.698 -1.252 . . . . 0.0 111.512 -174.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.23 47.22 1.04 Allowed Glycine 0 C--N 1.348 1.214 0 CA-C-O 116.835 -2.092 . . . . 0.0 115.617 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -61.54 -24.05 77.5 Favored 'Trans proline' 0 C--N 1.347 0.5 1 CA-C-N 124.621 4.211 . . . . 0.0 112.605 -179.161 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -57.55 -44.62 85.35 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 126.768 2.027 . . . . 0.0 112.715 172.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.3 mt -72.67 -41.63 65.19 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.597 -1.314 . . . . 0.0 112.166 171.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.349 0.554 0 C-N-CA 124.84 1.256 . . . . 0.0 113.932 -173.553 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--O 1.235 0.304 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.33 -44.42 90.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 O-C-N 119.793 -1.817 . . . . 0.0 112.718 174.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -92.55 -1.15 57.15 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 121.014 -1.054 . . . . 0.0 111.988 -168.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm 47.29 28.13 0.99 Allowed 'General case' 0 C--N 1.347 0.472 0 C-N-CA 128.35 2.66 . . . . 0.0 117.277 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.356 0.886 0 O-C-N 119.258 -2.151 . . . . 0.0 112.117 -166.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 55.3 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 122.7 1.238 . . . . 0.0 112.14 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.11 -22.81 61.43 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.74 98.64 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.104 -1.623 . . . . 0.0 112.817 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.8 m -63.97 -41.96 97.38 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-O 122.059 0.933 . . . . 0.0 112.157 173.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 tp -64.12 -45.26 89.38 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.227 1.011 . . . . 0.0 112.777 175.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.07 99.14 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 125.84 1.656 . . . . 0.0 113.673 176.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.83 97.82 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.449 -1.407 . . . . 0.0 113.249 172.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -67.24 -44.91 78.26 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -104.97 -6.05 20.44 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.834 -1.166 . . . . 0.0 112.926 -172.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.39 48.81 0.9 Allowed Glycine 0 C--N 1.345 1.07 0 CA-C-O 117.046 -1.975 . . . . 0.0 115.546 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -70.46 -12.24 31.25 Favored 'Trans proline' 0 CA--C 1.517 -0.342 1 CA-C-N 124.709 4.254 . . . . 0.0 112.304 -170.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.61 -45.76 92.8 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.656 1.183 . . . . 0.0 111.667 170.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.68 -41.75 78.77 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 121.24 -0.912 . . . . 0.0 111.995 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.349 0.577 0 C-N-CA 124.458 1.103 . . . . 0.0 112.892 -179.346 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.07 -45.57 86.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.61 0 O-C-N 120.117 -1.614 . . . . 0.0 113.472 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -75.22 -27.78 59.69 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 119.638 -1.914 . . . . 0.0 111.911 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm 58.08 19.94 6.48 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 127.547 2.339 . . . . 0.0 116.308 -174.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.351 0.634 0 O-C-N 120.747 -1.22 . . . . 0.0 112.176 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 C--O 1.233 0.193 0 CA-C-O 122.425 1.107 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -53.42 -31.76 46.64 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.285 1.834 . . . . 0.0 115.727 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.64 93.82 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 119.943 -1.723 . . . . 0.0 113.223 174.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 t -62.57 -41.78 99.14 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 120.748 -1.22 . . . . 0.0 112.014 173.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 tp -66.03 -46.79 76.6 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 123.944 0.898 . . . . 0.0 113.162 173.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.41 83.52 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 126.526 1.93 . . . . 0.0 114.066 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.94 -39.06 88.06 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 120.47 -1.394 . . . . 0.0 113.886 172.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -77.38 -45.56 25.55 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -98.49 -2.72 38.2 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.129 -0.982 . . . . 0.0 112.191 -172.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.64 45.96 1.18 Allowed Glycine 0 C--N 1.346 1.092 0 CA-C-O 116.593 -2.226 . . . . 0.0 115.365 175.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -63.65 -22.73 70.11 Favored 'Trans proline' 0 C--N 1.346 0.443 1 CA-C-N 124.948 4.374 . . . . 0.0 112.278 -177.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -59.52 -41.16 89.33 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.645 1.578 . . . . 0.0 112.917 171.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.85 -42.71 60.42 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.738 -1.226 . . . . 0.0 111.978 171.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.351 0.649 0 C-N-CA 124.197 0.999 . . . . 0.0 113.272 -175.66 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.54 -44.37 79.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.084 -1.635 . . . . 0.0 113.5 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.4 m -65.25 -38.91 91.8 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 119.793 -1.817 . . . . 0.0 112.656 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm 53.77 21.64 2.8 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 128.044 2.537 . . . . 0.0 117.419 -171.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.351 0.672 0 O-C-N 120.516 -1.365 . . . . 0.0 111.952 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.8 mm . . . . . 0 N--CA 1.463 0.196 0 CA-C-O 122.353 1.073 . . . . 0.0 113.245 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 pp -56.14 -9.89 0.73 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.89 93.12 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.671 -1.893 . . . . 0.0 113.427 175.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.2 p -65.04 -41.12 95.49 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.5 -1.375 . . . . 0.0 112.869 174.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.9 tp -63.83 -45.06 91.29 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 126.408 1.883 . . . . 0.0 112.601 174.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.89 88.76 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.778 1.631 . . . . 0.0 112.487 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.48 18.96 1.34 Allowed 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 120.428 -1.42 . . . . 0.0 112.482 174.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.21 -47.85 1.33 Allowed 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 119.539 -1.976 . . . . 0.0 111.548 168.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -101.31 -1.15 34.26 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 121.449 -0.782 . . . . 0.0 111.767 -175.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.23 43.07 1.79 Allowed Glycine 0 C--N 1.349 1.255 0 CA-C-O 116.24 -2.422 . . . . 0.0 116.47 175.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -62.71 -22.35 73.85 Favored 'Trans proline' 0 C--N 1.349 0.584 1 CA-C-N 125.776 4.788 . . . . 0.0 112.35 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.14 -41.66 79.53 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 126.601 1.96 . . . . 0.0 112.845 172.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.7 mt -77.6 -44.33 28.7 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.062 -1.024 . . . . 0.0 111.697 171.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.35 0.612 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -170.688 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.73 -36.7 78.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 O-C-N 120.822 -1.174 . . . . 0.0 113.481 -175.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 m -90.14 7.79 36.17 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.274 -1.516 . . . . 0.0 109.856 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt 51.54 24.82 2.43 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 127.642 2.377 . . . . 0.0 115.892 175.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.348 0.524 0 O-C-N 119.588 -1.945 . . . . 0.0 111.509 -167.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 121.886 0.85 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.7 mt -59.62 -34.22 72.49 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -178.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.37 95.77 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.057 -1.652 . . . . 0.0 113.194 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.6 m -63.73 -37.17 86.37 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.835 -1.166 . . . . 0.0 113.203 175.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.3 tp -70.33 -46.76 63.55 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 126.876 2.07 . . . . 0.0 112.568 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.23 -33.74 72.7 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 126.532 1.933 . . . . 0.0 113.194 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.5 -7.35 9.82 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 171.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -114.55 -42.33 3.3 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 120.478 -1.388 . . . . 0.0 109.769 174.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -96.15 -2.19 46.92 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.897 -1.127 . . . . 0.0 112.503 -172.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.99 50.2 0.82 Allowed Glycine 0 C--N 1.347 1.179 0 CA-C-O 117.296 -1.836 . . . . 0.0 114.794 173.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -64.44 -23.78 64.62 Favored 'Trans proline' 0 C--N 1.344 0.338 0 CA-C-N 124.016 3.908 . . . . 0.0 112.782 -173.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.67 -45.53 89.19 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.604 1.162 . . . . 0.0 112.21 173.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.84 -43.61 75.12 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 121.073 -1.017 . . . . 0.0 111.647 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.349 0.566 0 C-N-CA 124.715 1.206 . . . . 0.0 112.948 -178.145 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.32 -43.08 88.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 O-C-N 120.731 -1.231 . . . . 0.0 112.941 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 m -77.38 -15.04 59.57 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.74 -1.225 . . . . 0.0 110.958 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? 58.1 18.85 5.53 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 127.222 2.209 . . . . 0.0 116.935 171.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.349 0.567 0 O-C-N 119.913 -1.742 . . . . 0.0 113.556 -171.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 55.4 mt . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 122.602 1.191 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.21 -31.36 70.09 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.394 1.878 . . . . 0.0 113.326 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.27 93.76 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.194 -1.566 . . . . 0.0 113.54 172.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.7 t -65.25 -37.86 88.54 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.152 -1.593 . . . . 0.0 113.124 170.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.0 tp -62.47 -43.74 98.08 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.629 -1.294 . . . . 0.0 112.876 173.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.74 99.43 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 125.383 1.473 . . . . 0.0 112.723 172.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.09 40.26 0.47 Allowed 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.029 -1.67 . . . . 0.0 112.333 171.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 -61.14 0.28 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.408 1.883 . . . . 0.0 106.88 175.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -92.88 -2.95 55.41 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 121.242 -0.911 . . . . 0.0 112.737 -175.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.92 51.01 0.73 Allowed Glycine 0 C--N 1.348 1.236 0 CA-C-O 116.774 -2.126 . . . . 0.0 116.036 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -62.44 -23.06 74.82 Favored 'Trans proline' 0 C--N 1.346 0.422 1 CA-C-N 124.848 4.324 . . . . 0.0 112.392 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.92 -46.09 82.25 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 126.488 1.915 . . . . 0.0 112.524 171.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.98 -41.95 63.83 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.888 -1.132 . . . . 0.0 111.98 173.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.4 t80 . . . . . 0 C--N 1.349 0.58 0 C-N-CA 124.327 1.051 . . . . 0.0 113.399 -175.647 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.4 mt . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.1 m -68.12 -42.54 85.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 O-C-N 120.229 -1.545 . . . . 0.0 113.127 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.4 m -67.08 -38.27 85.44 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.608 -1.308 . . . . 0.0 112.368 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm 53.53 21.81 2.67 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 128.79 2.836 . . . . 0.0 118.421 -173.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.353 0.734 0 O-C-N 119.854 -1.779 . . . . 0.0 113.071 171.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 N--CA 1.437 -1.077 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp 50.52 52.26 12.05 Favored Pre-proline 0 CA--C 1.549 0.905 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.76 -29.26 35.83 Favored 'Trans proline' 0 CA--C 1.521 -0.169 0 C-N-CA 123.118 2.545 . . . . 0.0 114.532 -157.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.4 mt -42.11 -65.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.506 0 C-N-CA 127.355 2.262 . . . . 0.0 113.755 170.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.72 -15.63 63.57 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -172.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.23 94.78 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.353 -1.467 . . . . 0.0 112.39 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.3 m -63.94 -40.64 96.92 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.836 -1.165 . . . . 0.0 112.989 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.3 tp -65.5 -45.42 83.65 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.676 1.19 . . . . 0.0 112.851 174.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.74 -34.55 74.59 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 126.143 1.777 . . . . 0.0 112.993 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -9.49 52.12 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 120.464 -1.397 . . . . 0.0 114.701 173.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -112.09 -42.92 3.65 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.679 -1.263 . . . . 0.0 110.774 175.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -96.48 -1.76 46.65 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.761 -1.212 . . . . 0.0 112.019 -174.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.23 49.61 0.86 Allowed Glycine 0 C--N 1.346 1.115 0 CA-C-O 116.931 -2.038 . . . . 0.0 115.387 175.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -62.61 -22.48 74.01 Favored 'Trans proline' 0 C--N 1.348 0.505 1 CA-C-N 124.597 4.199 . . . . 0.0 112.052 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.81 -44.07 81.62 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.32 2.248 . . . . 0.0 112.623 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.67 -42.18 51.94 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.917 -1.115 . . . . 0.0 111.936 172.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -61.14 -44.37 97.43 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 124.321 1.048 . . . . 0.0 113.628 -174.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.9 -43.58 83.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.41 -44.49 83.37 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 O-C-N 120.148 -1.595 . . . . 0.0 113.454 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.0 m -74.6 -25.78 59.48 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 119.496 -2.003 . . . . 0.0 111.585 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm 58.33 18.82 5.8 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 127.938 2.495 . . . . 0.0 117.142 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.44 15.8 16.73 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.178 -1.576 . . . . 0.0 114.319 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 N--CA 1.443 -0.788 0 CA-C-O 122.446 1.117 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.07 137.9 95.72 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 124.489 1.116 . . . . 0.0 112.23 174.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -76.46 -26.45 8.66 Favored 'Trans proline' 0 C--N 1.327 -0.602 0 CA-C-N 122.954 2.091 . . . . 0.0 111.618 -162.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.4 ' H ' HG13 ' A' ' 4' ' ' ILE . 23.7 mt -39.75 -64.84 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.942 0 C-N-CA 127.281 2.232 . . . . 0.0 115.412 166.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.77 -34.08 77.1 Favored 'General case' 0 C--N 1.369 1.423 0 O-C-N 120.542 -1.349 . . . . 0.0 113.837 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.44 -41.32 89.36 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.81 -1.181 . . . . 0.0 113.262 171.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.0 m -62.02 -39.41 92.18 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.636 -1.29 . . . . 0.0 113.847 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.6 tp -68.25 -45.81 72.17 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 125.257 1.423 . . . . 0.0 113.478 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -30.98 69.53 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 126.519 1.928 . . . . 0.0 113.76 -176.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.02 -15.2 62.83 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -106.74 -39.01 5.94 Favored 'General case' 0 C--N 1.359 0.98 0 O-C-N 121.007 -1.058 . . . . 0.0 109.681 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -95.28 -2.1 50.1 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.169 -0.957 . . . . 0.0 111.728 -174.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.68 52.26 0.77 Allowed Glycine 0 C--N 1.348 1.245 0 CA-C-O 116.875 -2.069 . . . . 0.0 114.609 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -62.67 -23.13 74.53 Favored 'Trans proline' 0 C--N 1.344 0.329 0 CA-C-N 123.935 3.867 . . . . 0.0 111.668 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -56.92 -44.27 82.27 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 127.031 2.133 . . . . 0.0 112.557 171.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.87 -42.39 57.97 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 121.0 -1.062 . . . . 0.0 111.975 172.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.0 -41.83 97.27 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 124.473 1.109 . . . . 0.0 113.605 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.38 -43.78 76.59 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.9 -35.88 76.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 120.199 -1.563 . . . . 0.0 113.207 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.1 m -94.26 -13.75 26.21 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 121.266 -0.896 . . . . 0.0 111.644 -175.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 mptt 61.16 16.51 7.26 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 127.935 2.494 . . . . 0.0 115.784 175.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.99 19.8 4.11 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 119.885 -1.76 . . . . 0.0 114.232 -167.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 N--CA 1.44 -0.955 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.08 96.41 49.3 Favored Pre-proline 0 C--N 1.347 0.47 0 O-C-N 120.888 -1.132 . . . . 0.0 108.678 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -94.57 -37.07 0.03 OUTLIER 'Trans proline' 0 CA--C 1.514 -0.52 0 CA-C-N 121.945 1.73 . . . . 0.0 110.967 -164.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.4 mm -42.06 -65.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.501 0 C-N-CA 128.337 2.655 . . . . 0.0 113.697 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.25 -12.1 26.34 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -176.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -44.0 97.25 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.026 -1.671 . . . . 0.0 112.654 173.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.3 m -63.28 -41.28 98.99 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.357 1.063 . . . . 0.0 112.57 172.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.8 tp -63.7 -43.96 95.06 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 124.279 1.031 . . . . 0.0 112.755 175.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.45 98.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.828 1.651 . . . . 0.0 113.369 174.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.01 -45.02 94.33 Favored 'General case' 0 C--N 1.346 0.438 0 O-C-N 120.254 -1.529 . . . . 0.0 113.21 171.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -64.74 -41.59 95.81 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -108.63 -3.64 17.78 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 119.796 -1.815 . . . . 0.0 113.682 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.78 54.75 0.71 Allowed Glycine 0 C--N 1.345 1.073 0 CA-C-O 117.742 -1.588 . . . . 0.0 115.233 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.18 -12.02 32.99 Favored 'Trans proline' 0 C--N 1.343 0.28 0 CA-C-N 123.445 3.623 . . . . 0.0 111.921 -176.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -58.73 -44.98 90.62 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.389 1.876 . . . . 0.0 112.024 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.06 -41.46 70.71 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.109 -0.994 . . . . 0.0 112.081 173.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -43.49 98.79 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.262 1.025 . . . . 0.0 113.086 -177.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.45 -43.96 88.73 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.35 -44.83 83.32 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 O-C-N 120.056 -1.652 . . . . 0.0 113.57 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -74.88 -27.51 60.27 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 119.482 -2.011 . . . . 0.0 111.741 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? 58.85 18.33 6.02 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 127.834 2.453 . . . . 0.0 116.937 -175.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.7 13.14 17.28 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 119.921 -1.737 . . . . 0.0 114.256 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 . . . . . 0 N--CA 1.446 -0.63 0 CA-C-O 121.54 0.686 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.27 132.56 23.45 Favored Pre-proline 0 N--CA 1.448 -0.562 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -71.54 -27.49 18.75 Favored 'Trans proline' 0 C--N 1.331 -0.37 0 C-N-CA 122.812 2.342 . . . . 0.0 113.164 -168.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.7 mm -41.03 -71.05 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 128.639 2.776 . . . . 0.0 111.624 168.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.96 -28.51 69.04 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.23 97.04 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.381 -1.449 . . . . 0.0 112.653 171.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.4 m -63.19 -42.19 99.3 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.661 -1.274 . . . . 0.0 112.663 173.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.95 -43.77 94.82 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.141 1.377 . . . . 0.0 112.845 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.9 71.16 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.873 2.069 . . . . 0.0 112.953 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.67 13.01 4.05 Favored 'General case' 0 N--CA 1.437 -1.108 0 O-C-N 120.198 -1.564 . . . . 0.0 114.746 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.68 -46.29 2.25 Favored 'General case' 0 C--N 1.367 1.34 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.007 165.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -95.45 -2.63 48.42 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.717 -1.239 . . . . 0.0 113.268 -172.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.85 49.52 0.84 Allowed Glycine 0 C--N 1.342 0.889 0 CA-C-O 116.565 -2.241 . . . . 0.0 116.282 175.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -62.7 -23.8 74.66 Favored 'Trans proline' 0 C--N 1.345 0.389 1 CA-C-N 124.824 4.312 . . . . 0.0 112.162 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.73 -44.87 86.3 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.519 1.927 . . . . 0.0 112.642 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.3 -42.63 62.17 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.996 -1.065 . . . . 0.0 111.814 173.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -60.54 -40.92 93.32 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.728 1.211 . . . . 0.0 113.233 -175.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.5 -47.16 70.81 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.3 m -67.32 -34.17 67.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 O-C-N 121.078 -1.013 . . . . 0.0 113.333 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -86.16 -9.45 56.58 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.614 -1.303 . . . . 0.0 110.271 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt 61.35 15.1 6.23 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 173.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 ptmm? -148.62 29.54 0.84 Allowed 'General case' 0 C--N 1.351 0.664 0 O-C-N 119.376 -2.078 . . . . 0.0 114.981 -168.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 . . . . . 0 N--CA 1.439 -1.004 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mp 46.79 53.22 13.23 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 117.403 2.371 . . . . 0.0 117.403 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.69 -29.41 43.16 Favored 'Trans proline' 0 CA--C 1.52 -0.217 0 C-N-CA 123.084 2.523 . . . . 0.0 114.268 -158.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.4 mt -41.7 -65.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.463 0 C-N-CA 127.449 2.299 . . . . 0.0 113.542 169.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.47 -15.47 63.27 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.79 -1.194 . . . . 0.0 114.133 -172.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.9 -40.8 94.5 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.362 -1.461 . . . . 0.0 112.746 171.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -66.24 -41.42 90.01 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 119.885 -1.76 . . . . 0.0 112.495 170.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.4 tp -62.32 -44.26 96.92 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 120.852 -1.155 . . . . 0.0 113.207 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.51 10.23 18.38 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.847 1.259 . . . . 0.0 112.37 -175.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.39 -25.75 8.26 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.153 0.981 . . . . 0.0 108.468 169.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -46.73 46.21 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.61 -1.306 . . . . 0.0 112.408 169.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -100.53 3.91 43.15 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.789 0.836 . . . . 0.0 110.892 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.1 47.05 1.08 Allowed Glycine 0 C--N 1.348 1.224 0 CA-C-O 116.48 -2.289 . . . . 0.0 116.25 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -61.88 -23.82 76.4 Favored 'Trans proline' 0 C--N 1.346 0.446 1 CA-C-N 125.181 4.49 . . . . 0.0 112.192 177.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.47 -44.32 84.74 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.716 2.006 . . . . 0.0 112.806 172.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.2 mt -77.13 -43.19 34.96 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.901 -1.124 . . . . 0.0 111.631 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -61.04 -43.06 99.45 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.608 1.163 . . . . 0.0 113.612 -173.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.27 -44.34 83.9 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.77 -39.53 82.14 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 120.635 -1.291 . . . . 0.0 113.325 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 m -78.71 -19.07 53.27 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.526 -1.359 . . . . 0.0 111.822 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt 54.39 20.72 2.86 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 117.23 2.307 . . . . 0.0 117.23 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.66 29.5 1.24 Allowed 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.221 -1.549 . . . . 0.0 112.782 -175.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 t80 . . . . . 0 N--CA 1.443 -0.79 0 CA-C-O 122.917 1.341 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.7 mp -87.63 133.08 38.77 Favored Pre-proline 0 N--CA 1.443 -0.801 0 O-C-N 120.419 -1.425 . . . . 0.0 110.41 -176.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -71.07 -28.28 19.28 Favored 'Trans proline' 0 C--O 1.222 -0.29 0 C-N-CA 122.214 1.943 . . . . 0.0 113.315 -168.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 mt -42.17 -65.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.662 0 C-N-CA 127.169 2.188 . . . . 0.0 113.906 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.54 -32.42 73.37 Favored 'General case' 0 C--O 1.206 -1.223 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.13 95.54 Favored 'General case' 0 C--N 1.361 1.069 0 O-C-N 120.908 -1.12 . . . . 0.0 113.268 172.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -62.18 -42.28 99.13 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.659 -1.275 . . . . 0.0 113.068 171.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.8 tp -64.35 -44.4 91.6 Favored 'General case' 0 C--O 1.241 0.658 0 C-N-CA 124.33 1.052 . . . . 0.0 113.254 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.71 70.22 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 127.215 2.206 . . . . 0.0 114.019 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.48 -36.43 76.01 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.136 -1.602 . . . . 0.0 114.493 172.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -83.76 -45.05 13.78 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.99 -1.069 . . . . 0.0 112.089 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -95.24 -1.71 51.03 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 121.125 -0.985 . . . . 0.0 112.412 -170.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.75 53.75 0.72 Allowed Glycine 0 C--N 1.344 1.005 0 CA-C-O 117.393 -1.782 . . . . 0.0 113.984 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -62.97 -22.66 73.93 Favored 'Trans proline' 0 C--N 1.347 0.487 0 CA-C-N 123.499 3.649 . . . . 0.0 112.038 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.61 -44.89 81.59 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 127.111 2.165 . . . . 0.0 112.591 171.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.99 -42.97 56.51 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.676 -1.265 . . . . 0.0 111.804 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -61.53 -40.32 94.23 Favored 'General case' 0 C--N 1.351 0.63 0 C-N-CA 125.45 1.5 . . . . 0.0 114.254 -175.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.39 -44.16 68.59 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -174.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.37 -41.35 92.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 120.755 -1.216 . . . . 0.0 113.633 -175.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 m -96.57 -0.81 48.17 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.096 -1.627 . . . . 0.0 110.228 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt 53.41 23.14 3.18 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 128.35 2.66 . . . . 0.0 117.626 174.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.74 5.45 17.63 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.013 -1.679 . . . . 0.0 114.742 -167.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 N--CA 1.445 -0.704 0 CA-C-O 122.451 1.12 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -118.36 134.88 23.39 Favored Pre-proline 0 N--CA 1.447 -0.62 0 C-N-CA 124.555 1.142 . . . . 0.0 108.453 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -69.6 -28.02 26.53 Favored 'Trans proline' 0 C--O 1.23 0.096 0 C-N-CA 122.538 2.158 . . . . 0.0 113.353 -167.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.401 HG13 ' H ' ' A' ' 4' ' ' ILE . 29.3 mt -42.23 -65.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.404 0 C-N-CA 127.473 2.309 . . . . 0.0 113.856 169.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.95 -26.02 68.13 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.711 -1.243 . . . . 0.0 114.248 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.03 98.31 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.444 -1.41 . . . . 0.0 112.785 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.0 m -63.41 -41.73 98.73 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.844 -1.16 . . . . 0.0 112.791 173.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.0 tp -63.55 -43.51 96.85 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 124.821 1.249 . . . . 0.0 113.054 173.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.89 71.23 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 125.915 1.686 . . . . 0.0 112.864 174.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.24 15.4 2.94 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 120.294 -1.503 . . . . 0.0 112.881 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.47 -47.56 2.1 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.276 -1.515 . . . . 0.0 109.357 163.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -97.84 -1.04 44.02 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 121.02 -1.05 . . . . 0.0 112.952 -170.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.72 47.7 1.01 Allowed Glycine 0 C--N 1.346 1.11 0 CA-C-O 116.604 -2.22 . . . . 0.0 115.721 175.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -62.4 -24.45 75.65 Favored 'Trans proline' 0 C--N 1.347 0.48 1 CA-C-N 124.951 4.375 . . . . 0.0 112.451 -178.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -57.78 -46.85 84.0 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 125.946 1.698 . . . . 0.0 112.459 173.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.66 -42.33 64.44 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.902 -1.124 . . . . 0.0 111.928 174.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -60.46 -43.92 96.39 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.761 1.225 . . . . 0.0 113.012 -176.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.47 -44.48 87.04 Favored 'General case' 0 C--N 1.349 0.551 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.99 -43.58 89.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 120.332 -1.48 . . . . 0.0 112.77 176.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -67.38 -38.2 84.35 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 120.394 -1.441 . . . . 0.0 112.118 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm 59.51 18.37 6.9 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 128.047 2.539 . . . . 0.0 115.525 -172.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.41 9.84 11.05 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 120.885 -1.134 . . . . 0.0 111.167 -175.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.0 p90 . . . . . 0 N--CA 1.44 -0.971 0 CA-C-O 121.547 0.689 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mp -121.43 137.93 27.57 Favored Pre-proline 0 C--N 1.349 0.559 0 O-C-N 120.878 -1.139 . . . . 0.0 109.575 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -75.64 -28.9 7.75 Favored 'Trans proline' 0 CA--C 1.52 -0.19 0 C-N-CA 122.378 2.052 . . . . 0.0 112.45 -169.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.8 mm -42.14 -65.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.416 0 C-N-CA 127.888 2.475 . . . . 0.0 113.819 172.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.17 -13.89 59.28 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.137 1.375 . . . . 0.0 114.342 -176.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.1 82.6 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.425 -1.422 . . . . 0.0 111.603 174.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 t -66.25 -39.94 89.84 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.297 -1.502 . . . . 0.0 112.713 172.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 tp -61.13 -46.09 91.99 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.818 -1.176 . . . . 0.0 112.578 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.76 91.33 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 125.089 1.356 . . . . 0.0 113.425 172.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.62 -11.58 60.7 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 119.943 -1.723 . . . . 0.0 113.803 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.31 -52.45 4.35 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.601 -1.312 . . . . 0.0 112.222 171.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -98.44 -0.71 43.0 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.949 -1.094 . . . . 0.0 112.476 -170.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.34 55.01 0.55 Allowed Glycine 0 C--N 1.346 1.122 0 CA-C-O 117.369 -1.795 . . . . 0.0 114.886 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -63.83 -20.38 68.36 Favored 'Trans proline' 0 C--N 1.345 0.389 0 CA-C-N 123.892 3.846 . . . . 0.0 112.091 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -55.96 -46.46 78.57 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 126.378 1.871 . . . . 0.0 112.148 171.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.36 -42.52 62.12 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.835 -1.165 . . . . 0.0 112.059 174.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.1 -39.01 91.04 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.919 1.288 . . . . 0.0 114.094 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.87 -45.2 75.19 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -174.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.02 -38.69 83.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.599 0 O-C-N 120.562 -1.336 . . . . 0.0 113.976 -175.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.96 -0.99 57.1 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 119.997 -1.689 . . . . 0.0 110.516 176.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt 59.03 18.68 6.52 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 116.54 2.052 . . . . 0.0 116.54 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 6.55 23.48 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 -159.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.4 p90 . . . . . 0 N--CA 1.445 -0.692 0 CA-C-O 122.119 0.961 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp -87.16 126.8 61.53 Favored Pre-proline 0 N--CA 1.445 -0.716 0 O-C-N 120.755 -1.215 . . . . 0.0 109.624 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -68.87 -26.19 32.2 Favored 'Trans proline' 0 CA--C 1.52 -0.209 0 CA-C-N 122.768 2.024 . . . . 0.0 112.986 -167.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.429 ' H ' HG13 ' A' ' 4' ' ' ILE . 29.0 mt -41.94 -66.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.37 0 C-N-CA 127.277 2.231 . . . . 0.0 113.902 164.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.16 -33.39 75.89 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 120.649 -1.282 . . . . 0.0 113.528 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.21 -42.14 98.07 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.569 -1.332 . . . . 0.0 113.192 172.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.5 m -62.82 -42.5 99.75 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.58 1.152 . . . . 0.0 112.873 173.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.44 -43.6 96.97 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.054 1.341 . . . . 0.0 112.962 173.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.02 71.71 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 125.992 1.717 . . . . 0.0 112.962 175.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.24 14.42 2.4 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.164 -1.585 . . . . 0.0 113.048 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.59 -46.27 2.15 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.173 -1.579 . . . . 0.0 109.923 163.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -96.9 -2.2 44.3 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.863 -1.148 . . . . 0.0 112.933 -171.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.04 47.36 1.05 Allowed Glycine 0 C--N 1.346 1.097 0 CA-C-O 116.443 -2.31 . . . . 0.0 115.846 175.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -62.51 -24.5 75.36 Favored 'Trans proline' 0 C--N 1.348 0.505 1 CA-C-N 125.174 4.487 . . . . 0.0 112.412 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.13 -46.43 85.63 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 125.95 1.7 . . . . 0.0 112.335 172.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -72.28 -41.96 66.07 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.941 -1.1 . . . . 0.0 111.968 174.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -60.59 -43.61 97.19 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 124.649 1.18 . . . . 0.0 112.891 -176.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.57 -45.36 90.8 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -68.18 -43.19 85.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 O-C-N 120.35 -1.469 . . . . 0.0 112.944 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.5 m -66.7 -40.96 88.71 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.586 -1.321 . . . . 0.0 112.377 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 mtmm 56.55 20.7 5.08 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 128.01 2.524 . . . . 0.0 116.165 -170.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.86 10.81 11.68 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.52 -1.363 . . . . 0.0 111.497 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 . . . . . 0 N--CA 1.445 -0.69 0 CA-C-O 121.698 0.761 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.34 130.81 23.97 Favored Pre-proline 0 N--CA 1.449 -0.496 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -69.54 -28.86 25.78 Favored 'Trans proline' 0 CA--C 1.52 -0.199 0 CA-C-N 122.772 2.026 . . . . 0.0 113.23 -165.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.8 mt -41.98 -65.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.399 0 C-N-CA 127.532 2.333 . . . . 0.0 113.782 170.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.13 -26.27 68.21 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -175.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.39 92.57 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.277 -1.515 . . . . 0.0 113.182 173.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.72 -40.87 98.52 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.777 -1.202 . . . . 0.0 112.744 172.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 tp -65.44 -46.6 79.26 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.578 -1.326 . . . . 0.0 113.072 172.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.75 84.09 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.505 1.922 . . . . 0.0 114.096 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.89 94.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 120.53 -1.357 . . . . 0.0 113.98 173.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -76.95 -44.9 29.57 Favored 'General case' 0 C--N 1.349 0.587 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -95.83 -2.78 46.79 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.982 -1.074 . . . . 0.0 111.947 -172.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.15 53.07 0.78 Allowed Glycine 0 C--N 1.344 0.998 0 CA-C-O 117.551 -1.694 . . . . 0.0 114.378 176.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.0 -13.74 37.16 Favored 'Trans proline' 0 C--N 1.345 0.371 0 CA-C-N 123.563 3.682 . . . . 0.0 111.235 -176.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -58.0 -46.39 85.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.498 1.919 . . . . 0.0 111.982 169.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.65 -42.15 67.89 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.984 -1.073 . . . . 0.0 111.798 175.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -60.93 -42.1 97.5 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 124.981 1.312 . . . . 0.0 112.843 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.2 mt -65.63 -46.55 78.82 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 m -67.69 -43.37 86.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 O-C-N 120.734 -1.229 . . . . 0.0 112.991 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -81.11 -14.86 57.3 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.805 -1.185 . . . . 0.0 111.049 -176.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? 57.83 19.65 5.88 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 128.138 2.575 . . . . 0.0 117.46 167.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.34 15.07 5.58 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.304 -1.498 . . . . 0.0 113.405 -177.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 . . . . . 0 N--CA 1.439 -1.008 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp 48.44 52.73 13.17 Favored Pre-proline 0 CA--C 1.55 0.968 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 175.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.48 -25.53 29.81 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.22 2.613 . . . . 0.0 113.322 -163.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.1 mm -42.02 -65.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.392 0 C-N-CA 127.62 2.368 . . . . 0.0 113.331 167.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.19 -20.1 62.32 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.464 -1.398 . . . . 0.0 114.207 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.42 99.28 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 120.168 -1.582 . . . . 0.0 112.183 170.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.1 m -62.33 -35.67 79.81 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.06 1.344 . . . . 0.0 113.298 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.2 tp -71.76 -47.23 55.0 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.526 1.131 . . . . 0.0 113.603 169.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.83 79.49 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 127.009 2.124 . . . . 0.0 114.838 -172.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.06 79.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.475 -1.391 . . . . 0.0 113.963 173.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.13 -44.48 19.84 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.603 1.161 . . . . 0.0 111.891 -177.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -95.74 -0.25 51.62 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 121.146 -0.971 . . . . 0.0 111.592 -174.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.78 53.42 0.8 Allowed Glycine 0 C--N 1.343 0.96 0 CA-C-O 117.258 -1.857 . . . . 0.0 114.191 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -63.14 -21.84 72.76 Favored 'Trans proline' 0 C--N 1.346 0.425 0 CA-C-N 123.737 3.768 . . . . 0.0 111.638 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -56.48 -45.15 81.1 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.942 2.097 . . . . 0.0 112.473 169.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.5 mt -73.69 -42.08 61.77 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.899 -1.125 . . . . 0.0 111.777 173.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -60.98 -43.93 98.12 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 124.368 1.067 . . . . 0.0 113.466 -175.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.35 -44.38 95.02 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.4 m -68.14 -39.68 81.69 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 O-C-N 120.35 -1.469 . . . . 0.0 113.139 174.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -67.19 -42.65 83.83 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.27 -1.518 . . . . 0.0 113.095 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.95 18.99 5.45 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 127.161 2.184 . . . . 0.0 115.508 -166.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.78 16.1 7.47 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 119.621 -1.925 . . . . 0.0 111.869 -177.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 . . . . . 0 N--CA 1.437 -1.096 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.2 mp 46.52 54.54 14.91 Favored Pre-proline 0 CA--C 1.548 0.901 0 N-CA-C 117.368 2.359 . . . . 0.0 117.368 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.5 -24.8 35.81 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.28 2.653 . . . . 0.0 113.505 -163.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.7 mm -42.06 -65.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.389 0 C-N-CA 127.909 2.484 . . . . 0.0 113.48 168.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 pp -69.1 -16.86 63.77 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 120.513 -1.367 . . . . 0.0 114.588 -173.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.34 98.81 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.252 -1.53 . . . . 0.0 112.352 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.1 m -64.2 -41.31 97.12 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 121.023 -1.048 . . . . 0.0 112.474 172.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.1 tp -63.11 -46.12 88.85 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.031 0.932 . . . . 0.0 112.781 174.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.1 76.48 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 125.727 1.611 . . . . 0.0 112.615 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.85 -10.45 58.5 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 120.482 -1.386 . . . . 0.0 114.603 174.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -30.25 7.83 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.456 -2.028 . . . . 0.0 113.396 167.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -110.6 -3.58 15.86 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.774 -1.204 . . . . 0.0 112.337 -171.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.18 45.31 1.29 Allowed Glycine 0 C--N 1.346 1.103 0 CA-C-O 116.292 -2.393 . . . . 0.0 115.53 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -61.37 -25.75 80.55 Favored 'Trans proline' 0 C--N 1.349 0.555 1 CA-C-N 125.096 4.448 . . . . 0.0 112.502 -177.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -57.52 -43.91 84.67 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 126.587 1.955 . . . . 0.0 112.903 173.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -76.88 -42.69 38.8 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.697 -1.252 . . . . 0.0 111.697 172.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -60.68 -45.64 93.37 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.611 1.165 . . . . 0.0 113.59 -172.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.64 -45.62 82.31 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.12 -40.11 86.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.215 -1.553 . . . . 0.0 112.573 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -61.88 -35.33 78.01 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 125.355 1.462 . . . . 0.0 111.53 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm 52.09 24.55 2.76 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 128.748 2.819 . . . . 0.0 116.291 -168.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -99.44 -6.17 28.14 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.161 -1.587 . . . . 0.0 111.151 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 N--CA 1.438 -1.058 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.3 mt 48.41 47.53 4.84 Favored Pre-proline 0 CA--C 1.547 0.861 0 N-CA-C 118.344 2.72 . . . . 0.0 118.344 170.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.43 -29.38 37.8 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.974 2.449 . . . . 0.0 114.531 -157.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.9 mt -42.07 -65.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.455 0 C-N-CA 127.772 2.429 . . . . 0.0 113.497 170.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.88 -13.4 59.55 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -169.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.71 92.54 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.305 -1.497 . . . . 0.0 112.947 172.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.6 m -64.73 -41.84 95.65 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.113 -0.992 . . . . 0.0 112.671 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.33 -47.03 83.9 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.661 1.184 . . . . 0.0 112.354 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.94 98.49 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 125.483 1.513 . . . . 0.0 113.739 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.92 88.5 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.528 -1.357 . . . . 0.0 113.72 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -70.92 -43.64 67.84 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -102.47 -4.04 25.99 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.369 -1.457 . . . . 0.0 111.997 -171.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.21 52.44 0.8 Allowed Glycine 0 C--N 1.347 1.172 0 CA-C-O 117.882 -1.51 . . . . 0.0 114.198 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.0 -11.34 30.33 Favored 'Trans proline' 0 C--N 1.344 0.328 0 CA-C-N 123.038 3.419 . . . . 0.0 112.343 -168.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -61.06 -43.6 98.65 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.966 1.706 . . . . 0.0 112.52 172.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.2 mt -68.44 -40.95 80.95 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.056 -1.027 . . . . 0.0 112.291 171.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -60.82 -45.07 95.89 Favored 'General case' 0 C--N 1.348 0.513 0 C-N-CA 124.38 1.072 . . . . 0.0 112.482 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.7 mt -64.94 -45.34 86.2 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 176.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.8 m -66.65 -42.45 89.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.156 -1.59 . . . . 0.0 113.179 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -66.11 -29.32 69.61 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 120.133 -1.604 . . . . 0.0 111.601 174.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm 51.76 25.27 2.83 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 128.333 2.653 . . . . 0.0 116.1 -169.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -99.19 -2.57 36.45 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.357 -1.464 . . . . 0.0 111.479 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 . . . . . 0 N--CA 1.441 -0.915 0 CA-C-O 121.674 0.749 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.7 mp -141.57 143.9 31.37 Favored Pre-proline 0 N--CA 1.448 -0.537 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -75.85 -27.46 8.68 Favored 'Trans proline' 0 CA--C 1.515 -0.462 0 CA-C-N 123.038 2.121 . . . . 0.0 112.429 -166.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.3 mt -43.2 -64.64 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 C-N-CA 128.588 2.755 . . . . 0.0 113.474 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -61.06 -24.6 66.32 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.426 1.49 . . . . 0.0 114.981 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.41 -44.94 89.23 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 120.544 -1.348 . . . . 0.0 114.357 174.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.3 m -61.93 -41.74 98.3 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.683 -1.26 . . . . 0.0 112.776 172.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.1 tp -63.37 -43.78 96.65 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.336 1.054 . . . . 0.0 112.651 175.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.16 98.37 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 125.407 1.483 . . . . 0.0 113.508 174.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.21 -44.53 95.05 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.085 -1.634 . . . . 0.0 113.463 171.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 tptp -64.11 -40.84 97.06 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -108.56 -3.55 17.94 Favored 'General case' 0 C--N 1.34 0.153 0 O-C-N 120.262 -1.524 . . . . 0.0 113.95 -176.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.61 53.63 0.74 Allowed Glycine 0 C--N 1.346 1.087 0 CA-C-O 117.598 -1.668 . . . . 0.0 115.834 -177.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -69.04 -9.61 26.83 Favored 'Trans proline' 0 C--N 1.343 0.28 0 CA-C-N 123.661 3.73 . . . . 0.0 112.596 -173.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -59.36 -44.39 92.7 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.834 1.254 . . . . 0.0 111.693 169.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.61 -40.82 76.37 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.29 -0.881 . . . . 0.0 112.014 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -60.34 -43.54 96.36 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 124.596 1.158 . . . . 0.0 112.667 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.59 -44.78 77.31 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.8 m -68.63 -41.37 82.75 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 O-C-N 120.415 -1.428 . . . . 0.0 113.82 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.0 m -82.22 -12.5 58.06 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.354 -1.466 . . . . 0.0 111.239 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt 44.85 30.9 0.6 Allowed 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 128.633 2.773 . . . . 0.0 116.98 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -121.79 4.01 10.02 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.337 -1.477 . . . . 0.0 112.933 -170.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 . . . . . 0 N--CA 1.438 -1.064 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.5 tp 50.86 53.44 13.9 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 174.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -71.55 -13.07 29.95 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.751 2.301 . . . . 0.0 113.52 -156.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.3 mm -41.75 -65.1 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 128.808 2.843 . . . . 0.0 113.319 164.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -22.42 55.77 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 -166.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.83 88.73 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.455 -1.403 . . . . 0.0 113.266 172.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.8 m -65.01 -40.99 95.73 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.792 -1.193 . . . . 0.0 112.705 174.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.0 tp -65.14 -46.58 80.32 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 124.669 1.188 . . . . 0.0 112.319 175.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.44 77.27 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.178 1.791 . . . . 0.0 113.296 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.17 -10.84 60.08 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.59 -1.319 . . . . 0.0 114.335 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -112.6 -42.9 3.55 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.778 -1.201 . . . . 0.0 111.131 176.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -97.21 -2.12 43.51 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 120.698 -1.252 . . . . 0.0 111.512 -174.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.23 47.22 1.04 Allowed Glycine 0 C--N 1.348 1.214 0 CA-C-O 116.835 -2.092 . . . . 0.0 115.617 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -61.54 -24.05 77.5 Favored 'Trans proline' 0 C--N 1.347 0.5 1 CA-C-N 124.621 4.211 . . . . 0.0 112.605 -179.161 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -57.55 -44.62 85.35 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 126.768 2.027 . . . . 0.0 112.715 172.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.3 mt -72.67 -41.63 65.19 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.597 -1.314 . . . . 0.0 112.166 171.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.51 -43.67 96.83 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 124.84 1.256 . . . . 0.0 113.932 -173.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.2 mt -66.18 -41.34 90.42 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.33 -44.42 90.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 O-C-N 119.793 -1.817 . . . . 0.0 112.718 174.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -92.55 -1.15 57.15 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 121.014 -1.054 . . . . 0.0 111.988 -168.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm 47.29 28.13 0.99 Allowed 'General case' 0 C--N 1.347 0.472 0 C-N-CA 128.35 2.66 . . . . 0.0 117.277 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.0 -6.41 15.68 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 119.258 -2.151 . . . . 0.0 112.117 -166.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 N--CA 1.438 -1.026 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.5 tp 19.01 80.18 0.13 Allowed Pre-proline 0 C--N 1.355 0.83 0 C-N-CA 129.277 3.031 . . . . 0.0 119.019 175.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -99.7 60.01 0.05 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.378 0 CA-C-N 122.167 1.81 . . . . 0.0 110.742 -151.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 55.3 mt -42.06 -65.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.505 0 C-N-CA 128.63 2.772 . . . . 0.0 112.14 167.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.11 -22.81 61.43 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.74 98.64 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.104 -1.623 . . . . 0.0 112.817 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.8 m -63.97 -41.96 97.38 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-O 122.059 0.933 . . . . 0.0 112.157 173.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 tp -64.12 -45.26 89.38 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.227 1.011 . . . . 0.0 112.777 175.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.07 99.14 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 125.84 1.656 . . . . 0.0 113.673 176.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.83 97.82 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.449 -1.407 . . . . 0.0 113.249 172.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -67.24 -44.91 78.26 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -104.97 -6.05 20.44 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.834 -1.166 . . . . 0.0 112.926 -172.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.39 48.81 0.9 Allowed Glycine 0 C--N 1.345 1.07 0 CA-C-O 117.046 -1.975 . . . . 0.0 115.546 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -70.46 -12.24 31.25 Favored 'Trans proline' 0 CA--C 1.517 -0.342 1 CA-C-N 124.709 4.254 . . . . 0.0 112.304 -170.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.61 -45.76 92.8 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.656 1.183 . . . . 0.0 111.667 170.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.68 -41.75 78.77 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 121.24 -0.912 . . . . 0.0 111.995 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -61.39 -43.69 98.44 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.458 1.103 . . . . 0.0 112.892 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.11 -42.78 96.75 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.07 -45.57 86.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.61 0 O-C-N 120.117 -1.614 . . . . 0.0 113.472 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -75.22 -27.78 59.69 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 119.638 -1.914 . . . . 0.0 111.911 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm 58.08 19.94 6.48 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 127.547 2.339 . . . . 0.0 116.308 -174.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.69 13.23 18.57 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.747 -1.22 . . . . 0.0 112.176 -176.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 . . . . . 0 N--CA 1.438 -1.045 0 CA-C-O 121.702 0.763 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.3 tp 47.4 66.7 5.29 Favored Pre-proline 0 C--N 1.352 0.695 0 N-CA-C 117.516 2.413 . . . . 0.0 117.516 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -95.63 65.95 0.2 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 CA-C-N 122.254 1.841 . . . . 0.0 110.799 -155.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.0 mm -41.98 -65.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.531 0 C-N-CA 129.116 2.966 . . . . 0.0 112.091 167.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -53.42 -31.76 46.64 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.285 1.834 . . . . 0.0 115.727 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.64 93.82 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 119.943 -1.723 . . . . 0.0 113.223 174.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 t -62.57 -41.78 99.14 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 120.748 -1.22 . . . . 0.0 112.014 173.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 tp -66.03 -46.79 76.6 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 123.944 0.898 . . . . 0.0 113.162 173.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.41 83.52 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 126.526 1.93 . . . . 0.0 114.066 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.94 -39.06 88.06 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 120.47 -1.394 . . . . 0.0 113.886 172.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -77.38 -45.56 25.55 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -98.49 -2.72 38.2 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.129 -0.982 . . . . 0.0 112.191 -172.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.64 45.96 1.18 Allowed Glycine 0 C--N 1.346 1.092 0 CA-C-O 116.593 -2.226 . . . . 0.0 115.365 175.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -63.65 -22.73 70.11 Favored 'Trans proline' 0 C--N 1.346 0.443 1 CA-C-N 124.948 4.374 . . . . 0.0 112.278 -177.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -59.52 -41.16 89.33 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.645 1.578 . . . . 0.0 112.917 171.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.85 -42.71 60.42 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.738 -1.226 . . . . 0.0 111.978 171.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -61.18 -46.17 91.59 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.197 0.999 . . . . 0.0 113.272 -175.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.81 -42.57 94.89 Favored 'General case' 0 C--N 1.347 0.49 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 177.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.54 -44.37 79.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.084 -1.635 . . . . 0.0 113.5 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.4 m -65.25 -38.91 91.8 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 119.793 -1.817 . . . . 0.0 112.656 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm 53.77 21.64 2.8 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 128.044 2.537 . . . . 0.0 117.419 -171.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.52 21.05 7.88 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.516 -1.365 . . . . 0.0 111.952 175.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 . . . . . 0 N--CA 1.445 -0.697 0 CA-C-O 121.132 0.491 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.9 mp 78.9 172.93 0.09 OUTLIER Pre-proline 0 C--N 1.349 0.566 0 C-N-CA 127.593 2.357 . . . . 0.0 110.931 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -79.32 -30.3 2.65 Favored 'Trans proline' 0 CA--C 1.512 -0.582 0 CA-C-N 122.758 2.021 . . . . 0.0 110.795 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.8 mm -42.12 -65.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.568 0 C-N-CA 128.515 2.726 . . . . 0.0 113.245 -155.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 pp -56.14 -9.89 0.73 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.89 93.12 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.671 -1.893 . . . . 0.0 113.427 175.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.2 p -65.04 -41.12 95.49 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.5 -1.375 . . . . 0.0 112.869 174.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.9 tp -63.83 -45.06 91.29 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 126.408 1.883 . . . . 0.0 112.601 174.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.89 88.76 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.778 1.631 . . . . 0.0 112.487 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.48 18.96 1.34 Allowed 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 120.428 -1.42 . . . . 0.0 112.482 174.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.21 -47.85 1.33 Allowed 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 119.539 -1.976 . . . . 0.0 111.548 168.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -101.31 -1.15 34.26 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 121.449 -0.782 . . . . 0.0 111.767 -175.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.23 43.07 1.79 Allowed Glycine 0 C--N 1.349 1.255 0 CA-C-O 116.24 -2.422 . . . . 0.0 116.47 175.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -62.71 -22.35 73.85 Favored 'Trans proline' 0 C--N 1.349 0.584 1 CA-C-N 125.776 4.788 . . . . 0.0 112.35 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.14 -41.66 79.53 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 126.601 1.96 . . . . 0.0 112.845 172.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.7 mt -77.6 -44.33 28.7 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.062 -1.024 . . . . 0.0 111.697 171.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -61.49 -44.05 97.77 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -170.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.4 mt -72.18 -47.63 49.36 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 124.491 1.116 . . . . 0.0 113.862 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.73 -36.7 78.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 O-C-N 120.822 -1.174 . . . . 0.0 113.481 -175.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 m -90.14 7.79 36.17 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.274 -1.516 . . . . 0.0 109.856 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt 51.54 24.82 2.43 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 127.642 2.377 . . . . 0.0 115.892 175.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.71 -12.73 16.81 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 119.588 -1.945 . . . . 0.0 111.509 -167.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 . . . . . 0 N--CA 1.439 -0.984 0 CA-C-O 122.172 0.987 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.28 103.78 48.96 Favored Pre-proline 0 N--CA 1.449 -0.48 0 O-C-N 120.431 -1.418 . . . . 0.0 109.416 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -104.96 12.11 0.22 Allowed 'Trans proline' 0 CA--C 1.518 -0.325 0 CA-C-N 121.111 1.432 . . . . 0.0 110.581 -167.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.623 ' H ' HD12 ' A' ' 4' ' ' ILE . 5.2 mp -42.01 -65.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.552 0 C-N-CA 127.686 2.394 . . . . 0.0 112.505 170.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.7 mt -59.62 -34.22 72.49 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -178.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.37 95.77 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.057 -1.652 . . . . 0.0 113.194 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.6 m -63.73 -37.17 86.37 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.835 -1.166 . . . . 0.0 113.203 175.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.3 tp -70.33 -46.76 63.55 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 126.876 2.07 . . . . 0.0 112.568 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.23 -33.74 72.7 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 126.532 1.933 . . . . 0.0 113.194 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.5 -7.35 9.82 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 171.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -114.55 -42.33 3.3 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 120.478 -1.388 . . . . 0.0 109.769 174.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -96.15 -2.19 46.92 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.897 -1.127 . . . . 0.0 112.503 -172.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.99 50.2 0.82 Allowed Glycine 0 C--N 1.347 1.179 0 CA-C-O 117.296 -1.836 . . . . 0.0 114.794 173.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -64.44 -23.78 64.62 Favored 'Trans proline' 0 C--N 1.344 0.338 0 CA-C-N 124.016 3.908 . . . . 0.0 112.782 -173.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.67 -45.53 89.19 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.604 1.162 . . . . 0.0 112.21 173.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.84 -43.61 75.12 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 121.073 -1.017 . . . . 0.0 111.647 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.93 -43.51 98.7 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.715 1.206 . . . . 0.0 112.948 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.35 -45.59 79.64 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.32 -43.08 88.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 O-C-N 120.731 -1.231 . . . . 0.0 112.941 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 m -77.38 -15.04 59.57 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.74 -1.225 . . . . 0.0 110.958 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? 58.1 18.85 5.53 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 127.222 2.209 . . . . 0.0 116.935 171.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.34 22.93 2.19 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 119.913 -1.742 . . . . 0.0 113.556 -171.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 20.7 t80 . . . . . 0 N--CA 1.437 -1.086 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mp -81.88 119.49 75.36 Favored Pre-proline 0 N--CA 1.446 -0.674 0 O-C-N 120.336 -1.477 . . . . 0.0 109.512 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -77.07 -26.46 7.73 Favored 'Trans proline' 0 CA--C 1.518 -0.319 0 CA-C-N 122.457 1.913 . . . . 0.0 112.786 -157.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 55.4 mt -42.08 -65.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.455 0 C-N-CA 126.999 2.12 . . . . 0.0 112.571 164.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.21 -31.36 70.09 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.394 1.878 . . . . 0.0 113.326 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.27 93.76 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.194 -1.566 . . . . 0.0 113.54 172.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.7 t -65.25 -37.86 88.54 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.152 -1.593 . . . . 0.0 113.124 170.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.0 tp -62.47 -43.74 98.08 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.629 -1.294 . . . . 0.0 112.876 173.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.74 99.43 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 125.383 1.473 . . . . 0.0 112.723 172.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.09 40.26 0.47 Allowed 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.029 -1.67 . . . . 0.0 112.333 171.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 -61.14 0.28 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.408 1.883 . . . . 0.0 106.88 175.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -92.88 -2.95 55.41 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 121.242 -0.911 . . . . 0.0 112.737 -175.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.92 51.01 0.73 Allowed Glycine 0 C--N 1.348 1.236 0 CA-C-O 116.774 -2.126 . . . . 0.0 116.036 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -62.44 -23.06 74.82 Favored 'Trans proline' 0 C--N 1.346 0.422 1 CA-C-N 124.848 4.324 . . . . 0.0 112.392 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.92 -46.09 82.25 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 126.488 1.915 . . . . 0.0 112.524 171.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.98 -41.95 63.83 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.888 -1.132 . . . . 0.0 111.98 173.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -61.15 -43.64 98.56 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.327 1.051 . . . . 0.0 113.399 -175.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.33 -44.82 93.83 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.1 m -68.12 -42.54 85.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 O-C-N 120.229 -1.545 . . . . 0.0 113.127 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.4 m -67.08 -38.27 85.44 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.608 -1.308 . . . . 0.0 112.368 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm 53.53 21.81 2.67 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 128.79 2.836 . . . . 0.0 118.421 -173.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.33 14.42 8.95 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 119.854 -1.779 . . . . 0.0 113.071 171.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.4 mt . . . . . 0 C--O 1.232 0.165 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.72 -15.63 63.57 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -172.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.23 94.78 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.353 -1.467 . . . . 0.0 112.39 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.3 m -63.94 -40.64 96.92 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.836 -1.165 . . . . 0.0 112.989 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.3 tp -65.5 -45.42 83.65 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.676 1.19 . . . . 0.0 112.851 174.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.74 -34.55 74.59 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 126.143 1.777 . . . . 0.0 112.993 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -9.49 52.12 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 120.464 -1.397 . . . . 0.0 114.701 173.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -112.09 -42.92 3.65 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.679 -1.263 . . . . 0.0 110.774 175.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -96.48 -1.76 46.65 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.761 -1.212 . . . . 0.0 112.019 -174.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.23 49.61 0.86 Allowed Glycine 0 C--N 1.346 1.115 0 CA-C-O 116.931 -2.038 . . . . 0.0 115.387 175.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -62.61 -22.48 74.01 Favored 'Trans proline' 0 C--N 1.348 0.505 1 CA-C-N 124.597 4.199 . . . . 0.0 112.052 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.81 -44.07 81.62 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.32 2.248 . . . . 0.0 112.623 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.67 -42.18 51.94 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.917 -1.115 . . . . 0.0 111.936 172.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.351 0.662 0 C-N-CA 124.321 1.048 . . . . 0.0 113.628 -174.214 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.41 -44.49 83.37 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 O-C-N 120.148 -1.595 . . . . 0.0 113.454 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.0 m -74.6 -25.78 59.48 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 119.496 -2.003 . . . . 0.0 111.585 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm 58.33 18.82 5.8 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 127.938 2.495 . . . . 0.0 117.142 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.352 0.704 0 O-C-N 120.178 -1.576 . . . . 0.0 114.319 -178.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.7 mt . . . . . 0 C--O 1.211 -0.942 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.77 -34.08 77.1 Favored 'General case' 0 C--N 1.369 1.423 0 O-C-N 120.542 -1.349 . . . . 0.0 113.837 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.44 -41.32 89.36 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.81 -1.181 . . . . 0.0 113.262 171.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.0 m -62.02 -39.41 92.18 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.636 -1.29 . . . . 0.0 113.847 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.6 tp -68.25 -45.81 72.17 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 125.257 1.423 . . . . 0.0 113.478 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -30.98 69.53 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 126.519 1.928 . . . . 0.0 113.76 -176.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.02 -15.2 62.83 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -106.74 -39.01 5.94 Favored 'General case' 0 C--N 1.359 0.98 0 O-C-N 121.007 -1.058 . . . . 0.0 109.681 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -95.28 -2.1 50.1 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.169 -0.957 . . . . 0.0 111.728 -174.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.68 52.26 0.77 Allowed Glycine 0 C--N 1.348 1.245 0 CA-C-O 116.875 -2.069 . . . . 0.0 114.609 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -62.67 -23.13 74.53 Favored 'Trans proline' 0 C--N 1.344 0.329 0 CA-C-N 123.935 3.867 . . . . 0.0 111.668 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -56.92 -44.27 82.27 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 127.031 2.133 . . . . 0.0 112.557 171.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.87 -42.39 57.97 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 121.0 -1.062 . . . . 0.0 111.975 172.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.352 0.704 0 C-N-CA 124.473 1.109 . . . . 0.0 113.605 -174.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.9 -35.88 76.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 120.199 -1.563 . . . . 0.0 113.207 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.1 m -94.26 -13.75 26.21 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 121.266 -0.896 . . . . 0.0 111.644 -175.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 mptt 61.16 16.51 7.26 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 127.935 2.494 . . . . 0.0 115.784 175.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.347 0.466 0 O-C-N 119.885 -1.76 . . . . 0.0 114.232 -167.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.4 mm . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 122.679 1.228 . . . . 0.0 113.697 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.25 -12.1 26.34 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -176.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -44.0 97.25 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.026 -1.671 . . . . 0.0 112.654 173.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.3 m -63.28 -41.28 98.99 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.357 1.063 . . . . 0.0 112.57 172.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.8 tp -63.7 -43.96 95.06 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 124.279 1.031 . . . . 0.0 112.755 175.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.45 98.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.828 1.651 . . . . 0.0 113.369 174.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.01 -45.02 94.33 Favored 'General case' 0 C--N 1.346 0.438 0 O-C-N 120.254 -1.529 . . . . 0.0 113.21 171.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -64.74 -41.59 95.81 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -108.63 -3.64 17.78 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 119.796 -1.815 . . . . 0.0 113.682 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.78 54.75 0.71 Allowed Glycine 0 C--N 1.345 1.073 0 CA-C-O 117.742 -1.588 . . . . 0.0 115.233 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.18 -12.02 32.99 Favored 'Trans proline' 0 C--N 1.343 0.28 0 CA-C-N 123.445 3.623 . . . . 0.0 111.921 -176.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -58.73 -44.98 90.62 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.389 1.876 . . . . 0.0 112.024 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.06 -41.46 70.71 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.109 -0.994 . . . . 0.0 112.081 173.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.349 0.58 0 C-N-CA 124.262 1.025 . . . . 0.0 113.086 -177.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.35 -44.83 83.32 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 O-C-N 120.056 -1.652 . . . . 0.0 113.57 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -74.88 -27.51 60.27 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 119.482 -2.011 . . . . 0.0 111.741 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? 58.85 18.33 6.02 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 127.834 2.453 . . . . 0.0 116.937 -175.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.352 0.707 0 O-C-N 119.921 -1.737 . . . . 0.0 114.256 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.7 mm . . . . . 0 CA--C 1.538 0.496 0 CA-C-O 122.592 1.187 . . . . 0.0 111.624 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.96 -28.51 69.04 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.23 97.04 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.381 -1.449 . . . . 0.0 112.653 171.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.4 m -63.19 -42.19 99.3 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.661 -1.274 . . . . 0.0 112.663 173.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.95 -43.77 94.82 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.141 1.377 . . . . 0.0 112.845 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.9 71.16 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.873 2.069 . . . . 0.0 112.953 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.67 13.01 4.05 Favored 'General case' 0 N--CA 1.437 -1.108 0 O-C-N 120.198 -1.564 . . . . 0.0 114.746 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.68 -46.29 2.25 Favored 'General case' 0 C--N 1.367 1.34 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.007 165.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -95.45 -2.63 48.42 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.717 -1.239 . . . . 0.0 113.268 -172.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.85 49.52 0.84 Allowed Glycine 0 C--N 1.342 0.889 0 CA-C-O 116.565 -2.241 . . . . 0.0 116.282 175.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -62.7 -23.8 74.66 Favored 'Trans proline' 0 C--N 1.345 0.389 1 CA-C-N 124.824 4.312 . . . . 0.0 112.162 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.73 -44.87 86.3 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.519 1.927 . . . . 0.0 112.642 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.3 -42.63 62.17 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.996 -1.065 . . . . 0.0 111.814 173.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.349 0.586 0 C-N-CA 124.728 1.211 . . . . 0.0 113.233 -175.491 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.3 m -67.32 -34.17 67.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 O-C-N 121.078 -1.013 . . . . 0.0 113.333 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -86.16 -9.45 56.58 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.614 -1.303 . . . . 0.0 110.271 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt 61.35 15.1 6.23 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 173.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 ptmm? . . . . . 0 C--N 1.351 0.664 0 O-C-N 119.376 -2.078 . . . . 0.0 114.981 -168.425 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.4 mt . . . . . 0 C--O 1.234 0.249 0 CA-C-O 122.335 1.064 . . . . 0.0 113.542 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.47 -15.47 63.27 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.79 -1.194 . . . . 0.0 114.133 -172.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.9 -40.8 94.5 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.362 -1.461 . . . . 0.0 112.746 171.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -66.24 -41.42 90.01 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 119.885 -1.76 . . . . 0.0 112.495 170.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.4 tp -62.32 -44.26 96.92 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 120.852 -1.155 . . . . 0.0 113.207 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.51 10.23 18.38 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.847 1.259 . . . . 0.0 112.37 -175.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.39 -25.75 8.26 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.153 0.981 . . . . 0.0 108.468 169.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -46.73 46.21 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.61 -1.306 . . . . 0.0 112.408 169.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -100.53 3.91 43.15 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.789 0.836 . . . . 0.0 110.892 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.1 47.05 1.08 Allowed Glycine 0 C--N 1.348 1.224 0 CA-C-O 116.48 -2.289 . . . . 0.0 116.25 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -61.88 -23.82 76.4 Favored 'Trans proline' 0 C--N 1.346 0.446 1 CA-C-N 125.181 4.49 . . . . 0.0 112.192 177.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.47 -44.32 84.74 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.716 2.006 . . . . 0.0 112.806 172.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.2 mt -77.13 -43.19 34.96 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.901 -1.124 . . . . 0.0 111.631 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--N 1.35 0.623 0 C-N-CA 124.608 1.163 . . . . 0.0 113.612 -173.913 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.77 -39.53 82.14 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 120.635 -1.291 . . . . 0.0 113.325 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 m -78.71 -19.07 53.27 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.526 -1.359 . . . . 0.0 111.822 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt 54.39 20.72 2.86 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 117.23 2.307 . . . . 0.0 117.23 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.349 0.561 0 O-C-N 120.221 -1.549 . . . . 0.0 112.782 -175.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 mt . . . . . 0 N--CA 1.457 -0.118 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.54 -32.42 73.37 Favored 'General case' 0 C--O 1.206 -1.223 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.13 95.54 Favored 'General case' 0 C--N 1.361 1.069 0 O-C-N 120.908 -1.12 . . . . 0.0 113.268 172.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -62.18 -42.28 99.13 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.659 -1.275 . . . . 0.0 113.068 171.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.8 tp -64.35 -44.4 91.6 Favored 'General case' 0 C--O 1.241 0.658 0 C-N-CA 124.33 1.052 . . . . 0.0 113.254 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.71 70.22 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 127.215 2.206 . . . . 0.0 114.019 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.48 -36.43 76.01 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.136 -1.602 . . . . 0.0 114.493 172.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -83.76 -45.05 13.78 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.99 -1.069 . . . . 0.0 112.089 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -95.24 -1.71 51.03 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 121.125 -0.985 . . . . 0.0 112.412 -170.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.75 53.75 0.72 Allowed Glycine 0 C--N 1.344 1.005 0 CA-C-O 117.393 -1.782 . . . . 0.0 113.984 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -62.97 -22.66 73.93 Favored 'Trans proline' 0 C--N 1.347 0.487 0 CA-C-N 123.499 3.649 . . . . 0.0 112.038 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.61 -44.89 81.59 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 127.111 2.165 . . . . 0.0 112.591 171.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.99 -42.97 56.51 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.676 -1.265 . . . . 0.0 111.804 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 C--N 1.351 0.63 0 C-N-CA 125.45 1.5 . . . . 0.0 114.254 -175.259 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.37 -41.35 92.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 120.755 -1.216 . . . . 0.0 113.633 -175.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 m -96.57 -0.81 48.17 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.096 -1.627 . . . . 0.0 110.228 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt 53.41 23.14 3.18 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 128.35 2.66 . . . . 0.0 117.626 174.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.354 0.802 0 O-C-N 120.013 -1.679 . . . . 0.0 114.742 -167.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.3 mt . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.95 -26.02 68.13 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.711 -1.243 . . . . 0.0 114.248 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.03 98.31 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.444 -1.41 . . . . 0.0 112.785 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.0 m -63.41 -41.73 98.73 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.844 -1.16 . . . . 0.0 112.791 173.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.0 tp -63.55 -43.51 96.85 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 124.821 1.249 . . . . 0.0 113.054 173.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.89 71.23 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 125.915 1.686 . . . . 0.0 112.864 174.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.24 15.4 2.94 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 120.294 -1.503 . . . . 0.0 112.881 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.47 -47.56 2.1 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.276 -1.515 . . . . 0.0 109.357 163.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -97.84 -1.04 44.02 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 121.02 -1.05 . . . . 0.0 112.952 -170.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.72 47.7 1.01 Allowed Glycine 0 C--N 1.346 1.11 0 CA-C-O 116.604 -2.22 . . . . 0.0 115.721 175.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -62.4 -24.45 75.65 Favored 'Trans proline' 0 C--N 1.347 0.48 1 CA-C-N 124.951 4.375 . . . . 0.0 112.451 -178.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -57.78 -46.85 84.0 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 125.946 1.698 . . . . 0.0 112.459 173.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.66 -42.33 64.44 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.902 -1.124 . . . . 0.0 111.928 174.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 C--N 1.35 0.624 0 C-N-CA 124.761 1.225 . . . . 0.0 113.012 -176.131 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.99 -43.58 89.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 120.332 -1.48 . . . . 0.0 112.77 176.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -67.38 -38.2 84.35 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 120.394 -1.441 . . . . 0.0 112.118 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm 59.51 18.37 6.9 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 128.047 2.539 . . . . 0.0 115.525 -172.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.346 0.427 0 O-C-N 120.885 -1.134 . . . . 0.0 111.167 -175.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.8 mm . . . . . 0 C--O 1.235 0.313 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.17 -13.89 59.28 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.137 1.375 . . . . 0.0 114.342 -176.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.1 82.6 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.425 -1.422 . . . . 0.0 111.603 174.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 t -66.25 -39.94 89.84 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.297 -1.502 . . . . 0.0 112.713 172.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 tp -61.13 -46.09 91.99 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.818 -1.176 . . . . 0.0 112.578 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.76 91.33 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 125.089 1.356 . . . . 0.0 113.425 172.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.62 -11.58 60.7 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 119.943 -1.723 . . . . 0.0 113.803 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.31 -52.45 4.35 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.601 -1.312 . . . . 0.0 112.222 171.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -98.44 -0.71 43.0 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.949 -1.094 . . . . 0.0 112.476 -170.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.34 55.01 0.55 Allowed Glycine 0 C--N 1.346 1.122 0 CA-C-O 117.369 -1.795 . . . . 0.0 114.886 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -63.83 -20.38 68.36 Favored 'Trans proline' 0 C--N 1.345 0.389 0 CA-C-N 123.892 3.846 . . . . 0.0 112.091 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -55.96 -46.46 78.57 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 126.378 1.871 . . . . 0.0 112.148 171.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.36 -42.52 62.12 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.835 -1.165 . . . . 0.0 112.059 174.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 t80 . . . . . 0 C--N 1.349 0.557 0 C-N-CA 124.919 1.288 . . . . 0.0 114.094 -176.19 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.02 -38.69 83.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.599 0 O-C-N 120.562 -1.336 . . . . 0.0 113.976 -175.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.96 -0.99 57.1 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 119.997 -1.689 . . . . 0.0 110.516 176.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt 59.03 18.68 6.52 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 116.54 2.052 . . . . 0.0 116.54 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.349 0.583 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 -159.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.0 mt . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.16 -33.39 75.89 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 120.649 -1.282 . . . . 0.0 113.528 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.21 -42.14 98.07 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.569 -1.332 . . . . 0.0 113.192 172.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.5 m -62.82 -42.5 99.75 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.58 1.152 . . . . 0.0 112.873 173.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.44 -43.6 96.97 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.054 1.341 . . . . 0.0 112.962 173.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.02 71.71 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 125.992 1.717 . . . . 0.0 112.962 175.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.24 14.42 2.4 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.164 -1.585 . . . . 0.0 113.048 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.59 -46.27 2.15 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.173 -1.579 . . . . 0.0 109.923 163.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -96.9 -2.2 44.3 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.863 -1.148 . . . . 0.0 112.933 -171.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.04 47.36 1.05 Allowed Glycine 0 C--N 1.346 1.097 0 CA-C-O 116.443 -2.31 . . . . 0.0 115.846 175.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -62.51 -24.5 75.36 Favored 'Trans proline' 0 C--N 1.348 0.505 1 CA-C-N 125.174 4.487 . . . . 0.0 112.412 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.13 -46.43 85.63 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 125.95 1.7 . . . . 0.0 112.335 172.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -72.28 -41.96 66.07 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.941 -1.1 . . . . 0.0 111.968 174.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.1 t80 . . . . . 0 C--N 1.35 0.616 0 C-N-CA 124.649 1.18 . . . . 0.0 112.891 -176.74 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -68.18 -43.19 85.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 O-C-N 120.35 -1.469 . . . . 0.0 112.944 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.5 m -66.7 -40.96 88.71 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.586 -1.321 . . . . 0.0 112.377 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 mtmm 56.55 20.7 5.08 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 128.01 2.524 . . . . 0.0 116.165 -170.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.351 0.646 0 O-C-N 120.52 -1.363 . . . . 0.0 111.497 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.8 mt . . . . . 0 C--O 1.233 0.208 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.13 -26.27 68.21 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -175.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.39 92.57 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.277 -1.515 . . . . 0.0 113.182 173.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.72 -40.87 98.52 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.777 -1.202 . . . . 0.0 112.744 172.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 tp -65.44 -46.6 79.26 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.578 -1.326 . . . . 0.0 113.072 172.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.75 84.09 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.505 1.922 . . . . 0.0 114.096 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.89 94.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 120.53 -1.357 . . . . 0.0 113.98 173.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -76.95 -44.9 29.57 Favored 'General case' 0 C--N 1.349 0.587 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -95.83 -2.78 46.79 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.982 -1.074 . . . . 0.0 111.947 -172.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.15 53.07 0.78 Allowed Glycine 0 C--N 1.344 0.998 0 CA-C-O 117.551 -1.694 . . . . 0.0 114.378 176.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.0 -13.74 37.16 Favored 'Trans proline' 0 C--N 1.345 0.371 0 CA-C-N 123.563 3.682 . . . . 0.0 111.235 -176.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -58.0 -46.39 85.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.498 1.919 . . . . 0.0 111.982 169.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.65 -42.15 67.89 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.984 -1.073 . . . . 0.0 111.798 175.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 C--N 1.349 0.581 0 C-N-CA 124.981 1.312 . . . . 0.0 112.843 -177.512 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 m -67.69 -43.37 86.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 O-C-N 120.734 -1.229 . . . . 0.0 112.991 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -81.11 -14.86 57.3 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.805 -1.185 . . . . 0.0 111.049 -176.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? 57.83 19.65 5.88 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 128.138 2.575 . . . . 0.0 117.46 167.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.351 0.636 0 O-C-N 120.304 -1.498 . . . . 0.0 113.405 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 122.002 0.906 . . . . 0.0 113.331 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.19 -20.1 62.32 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.464 -1.398 . . . . 0.0 114.207 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.42 99.28 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 120.168 -1.582 . . . . 0.0 112.183 170.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.1 m -62.33 -35.67 79.81 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.06 1.344 . . . . 0.0 113.298 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.2 tp -71.76 -47.23 55.0 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.526 1.131 . . . . 0.0 113.603 169.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.83 79.49 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 127.009 2.124 . . . . 0.0 114.838 -172.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.06 79.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.475 -1.391 . . . . 0.0 113.963 173.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.13 -44.48 19.84 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.603 1.161 . . . . 0.0 111.891 -177.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -95.74 -0.25 51.62 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 121.146 -0.971 . . . . 0.0 111.592 -174.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.78 53.42 0.8 Allowed Glycine 0 C--N 1.343 0.96 0 CA-C-O 117.258 -1.857 . . . . 0.0 114.191 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -63.14 -21.84 72.76 Favored 'Trans proline' 0 C--N 1.346 0.425 0 CA-C-N 123.737 3.768 . . . . 0.0 111.638 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -56.48 -45.15 81.1 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.942 2.097 . . . . 0.0 112.473 169.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.5 mt -73.69 -42.08 61.77 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.899 -1.125 . . . . 0.0 111.777 173.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.6 t80 . . . . . 0 C--N 1.351 0.654 0 C-N-CA 124.368 1.067 . . . . 0.0 113.466 -175.873 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.4 m -68.14 -39.68 81.69 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 O-C-N 120.35 -1.469 . . . . 0.0 113.139 174.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -67.19 -42.65 83.83 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.27 -1.518 . . . . 0.0 113.095 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.95 18.99 5.45 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 127.161 2.184 . . . . 0.0 115.508 -166.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.352 0.675 0 O-C-N 119.621 -1.925 . . . . 0.0 111.869 -177.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.7 mm . . . . . 0 C--O 1.231 0.123 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 pp -69.1 -16.86 63.77 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 120.513 -1.367 . . . . 0.0 114.588 -173.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.34 98.81 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.252 -1.53 . . . . 0.0 112.352 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.1 m -64.2 -41.31 97.12 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 121.023 -1.048 . . . . 0.0 112.474 172.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.1 tp -63.11 -46.12 88.85 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.031 0.932 . . . . 0.0 112.781 174.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.1 76.48 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 125.727 1.611 . . . . 0.0 112.615 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.85 -10.45 58.5 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 120.482 -1.386 . . . . 0.0 114.603 174.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -30.25 7.83 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.456 -2.028 . . . . 0.0 113.396 167.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -110.6 -3.58 15.86 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.774 -1.204 . . . . 0.0 112.337 -171.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.18 45.31 1.29 Allowed Glycine 0 C--N 1.346 1.103 0 CA-C-O 116.292 -2.393 . . . . 0.0 115.53 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -61.37 -25.75 80.55 Favored 'Trans proline' 0 C--N 1.349 0.555 1 CA-C-N 125.096 4.448 . . . . 0.0 112.502 -177.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -57.52 -43.91 84.67 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 126.587 1.955 . . . . 0.0 112.903 173.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -76.88 -42.69 38.8 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.697 -1.252 . . . . 0.0 111.697 172.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 C--N 1.351 0.633 0 C-N-CA 124.611 1.165 . . . . 0.0 113.59 -172.289 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.12 -40.11 86.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.215 -1.553 . . . . 0.0 112.573 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -61.88 -35.33 78.01 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 125.355 1.462 . . . . 0.0 111.53 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm 52.09 24.55 2.76 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 128.748 2.819 . . . . 0.0 116.291 -168.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? . . . . . 0 C--N 1.351 0.667 0 O-C-N 120.161 -1.587 . . . . 0.0 111.151 178.002 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.9 mt . . . . . 0 C--O 1.232 0.162 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.88 -13.4 59.55 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -169.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.71 92.54 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.305 -1.497 . . . . 0.0 112.947 172.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.6 m -64.73 -41.84 95.65 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.113 -0.992 . . . . 0.0 112.671 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.33 -47.03 83.9 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.661 1.184 . . . . 0.0 112.354 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.94 98.49 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 125.483 1.513 . . . . 0.0 113.739 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.92 88.5 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.528 -1.357 . . . . 0.0 113.72 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -70.92 -43.64 67.84 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -102.47 -4.04 25.99 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.369 -1.457 . . . . 0.0 111.997 -171.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.21 52.44 0.8 Allowed Glycine 0 C--N 1.347 1.172 0 CA-C-O 117.882 -1.51 . . . . 0.0 114.198 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.0 -11.34 30.33 Favored 'Trans proline' 0 C--N 1.344 0.328 0 CA-C-N 123.038 3.419 . . . . 0.0 112.343 -168.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -61.06 -43.6 98.65 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.966 1.706 . . . . 0.0 112.52 172.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.2 mt -68.44 -40.95 80.95 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.056 -1.027 . . . . 0.0 112.291 171.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.348 0.513 0 C-N-CA 124.38 1.072 . . . . 0.0 112.482 -177.38 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.8 m -66.65 -42.45 89.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.156 -1.59 . . . . 0.0 113.179 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -66.11 -29.32 69.61 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 120.133 -1.604 . . . . 0.0 111.601 174.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm 51.76 25.27 2.83 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 128.333 2.653 . . . . 0.0 116.1 -169.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? . . . . . 0 C--N 1.349 0.582 0 O-C-N 120.357 -1.464 . . . . 0.0 111.479 -179.602 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.3 mt . . . . . 0 CA--C 1.513 -0.459 0 CA-C-O 124.47 2.081 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -61.06 -24.6 66.32 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.426 1.49 . . . . 0.0 114.981 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.41 -44.94 89.23 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 120.544 -1.348 . . . . 0.0 114.357 174.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.3 m -61.93 -41.74 98.3 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.683 -1.26 . . . . 0.0 112.776 172.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.1 tp -63.37 -43.78 96.65 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.336 1.054 . . . . 0.0 112.651 175.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.16 98.37 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 125.407 1.483 . . . . 0.0 113.508 174.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.21 -44.53 95.05 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.085 -1.634 . . . . 0.0 113.463 171.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 tptp -64.11 -40.84 97.06 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -108.56 -3.55 17.94 Favored 'General case' 0 C--N 1.34 0.153 0 O-C-N 120.262 -1.524 . . . . 0.0 113.95 -176.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.61 53.63 0.74 Allowed Glycine 0 C--N 1.346 1.087 0 CA-C-O 117.598 -1.668 . . . . 0.0 115.834 -177.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -69.04 -9.61 26.83 Favored 'Trans proline' 0 C--N 1.343 0.28 0 CA-C-N 123.661 3.73 . . . . 0.0 112.596 -173.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -59.36 -44.39 92.7 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.834 1.254 . . . . 0.0 111.693 169.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.61 -40.82 76.37 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.29 -0.881 . . . . 0.0 112.014 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.351 0.638 0 C-N-CA 124.596 1.158 . . . . 0.0 112.667 -178.755 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.8 m -68.63 -41.37 82.75 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 O-C-N 120.415 -1.428 . . . . 0.0 113.82 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.0 m -82.22 -12.5 58.06 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.354 -1.466 . . . . 0.0 111.239 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt 44.85 30.9 0.6 Allowed 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 128.633 2.773 . . . . 0.0 116.98 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? . . . . . 0 C--N 1.355 0.81 0 O-C-N 120.337 -1.477 . . . . 0.0 112.933 -170.277 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -22.42 55.77 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 -166.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.83 88.73 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.455 -1.403 . . . . 0.0 113.266 172.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.8 m -65.01 -40.99 95.73 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.792 -1.193 . . . . 0.0 112.705 174.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.0 tp -65.14 -46.58 80.32 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 124.669 1.188 . . . . 0.0 112.319 175.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.44 77.27 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.178 1.791 . . . . 0.0 113.296 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.17 -10.84 60.08 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.59 -1.319 . . . . 0.0 114.335 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -112.6 -42.9 3.55 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.778 -1.201 . . . . 0.0 111.131 176.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -97.21 -2.12 43.51 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 120.698 -1.252 . . . . 0.0 111.512 -174.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.23 47.22 1.04 Allowed Glycine 0 C--N 1.348 1.214 0 CA-C-O 116.835 -2.092 . . . . 0.0 115.617 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -61.54 -24.05 77.5 Favored 'Trans proline' 0 C--N 1.347 0.5 1 CA-C-N 124.621 4.211 . . . . 0.0 112.605 -179.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -57.55 -44.62 85.35 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 126.768 2.027 . . . . 0.0 112.715 172.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.3 mt -72.67 -41.63 65.19 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.597 -1.314 . . . . 0.0 112.166 171.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.349 0.554 0 C-N-CA 124.84 1.256 . . . . 0.0 113.932 -173.553 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--O 1.235 0.304 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.33 -44.42 90.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 O-C-N 119.793 -1.817 . . . . 0.0 112.718 174.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -92.55 -1.15 57.15 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 121.014 -1.054 . . . . 0.0 111.988 -168.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm 47.29 28.13 0.99 Allowed 'General case' 0 C--N 1.347 0.472 0 C-N-CA 128.35 2.66 . . . . 0.0 117.277 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.356 0.886 0 O-C-N 119.258 -2.151 . . . . 0.0 112.117 -166.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 55.3 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 122.7 1.238 . . . . 0.0 112.14 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.11 -22.81 61.43 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.74 98.64 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.104 -1.623 . . . . 0.0 112.817 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.8 m -63.97 -41.96 97.38 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-O 122.059 0.933 . . . . 0.0 112.157 173.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 tp -64.12 -45.26 89.38 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.227 1.011 . . . . 0.0 112.777 175.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.07 99.14 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 125.84 1.656 . . . . 0.0 113.673 176.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.83 97.82 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.449 -1.407 . . . . 0.0 113.249 172.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -67.24 -44.91 78.26 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -104.97 -6.05 20.44 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.834 -1.166 . . . . 0.0 112.926 -172.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.39 48.81 0.9 Allowed Glycine 0 C--N 1.345 1.07 0 CA-C-O 117.046 -1.975 . . . . 0.0 115.546 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -70.46 -12.24 31.25 Favored 'Trans proline' 0 CA--C 1.517 -0.342 1 CA-C-N 124.709 4.254 . . . . 0.0 112.304 -170.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.61 -45.76 92.8 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.656 1.183 . . . . 0.0 111.667 170.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.68 -41.75 78.77 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 121.24 -0.912 . . . . 0.0 111.995 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.349 0.577 0 C-N-CA 124.458 1.103 . . . . 0.0 112.892 -179.346 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.07 -45.57 86.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.61 0 O-C-N 120.117 -1.614 . . . . 0.0 113.472 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -75.22 -27.78 59.69 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 119.638 -1.914 . . . . 0.0 111.911 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm 58.08 19.94 6.48 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 127.547 2.339 . . . . 0.0 116.308 -174.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.351 0.634 0 O-C-N 120.747 -1.22 . . . . 0.0 112.176 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 C--O 1.233 0.193 0 CA-C-O 122.425 1.107 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -53.42 -31.76 46.64 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.285 1.834 . . . . 0.0 115.727 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.64 93.82 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 119.943 -1.723 . . . . 0.0 113.223 174.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 t -62.57 -41.78 99.14 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 120.748 -1.22 . . . . 0.0 112.014 173.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 tp -66.03 -46.79 76.6 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 123.944 0.898 . . . . 0.0 113.162 173.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.41 83.52 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 126.526 1.93 . . . . 0.0 114.066 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.94 -39.06 88.06 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 120.47 -1.394 . . . . 0.0 113.886 172.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -77.38 -45.56 25.55 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -98.49 -2.72 38.2 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.129 -0.982 . . . . 0.0 112.191 -172.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.64 45.96 1.18 Allowed Glycine 0 C--N 1.346 1.092 0 CA-C-O 116.593 -2.226 . . . . 0.0 115.365 175.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -63.65 -22.73 70.11 Favored 'Trans proline' 0 C--N 1.346 0.443 1 CA-C-N 124.948 4.374 . . . . 0.0 112.278 -177.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -59.52 -41.16 89.33 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.645 1.578 . . . . 0.0 112.917 171.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.85 -42.71 60.42 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.738 -1.226 . . . . 0.0 111.978 171.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.351 0.649 0 C-N-CA 124.197 0.999 . . . . 0.0 113.272 -175.66 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.54 -44.37 79.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.084 -1.635 . . . . 0.0 113.5 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.4 m -65.25 -38.91 91.8 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 119.793 -1.817 . . . . 0.0 112.656 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm 53.77 21.64 2.8 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 128.044 2.537 . . . . 0.0 117.419 -171.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.351 0.672 0 O-C-N 120.516 -1.365 . . . . 0.0 111.952 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.8 mm . . . . . 0 N--CA 1.463 0.196 0 CA-C-O 122.353 1.073 . . . . 0.0 113.245 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 pp -56.14 -9.89 0.73 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.89 93.12 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.671 -1.893 . . . . 0.0 113.427 175.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.2 p -65.04 -41.12 95.49 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.5 -1.375 . . . . 0.0 112.869 174.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.9 tp -63.83 -45.06 91.29 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 126.408 1.883 . . . . 0.0 112.601 174.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.89 88.76 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.778 1.631 . . . . 0.0 112.487 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.48 18.96 1.34 Allowed 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 120.428 -1.42 . . . . 0.0 112.482 174.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.21 -47.85 1.33 Allowed 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 119.539 -1.976 . . . . 0.0 111.548 168.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -101.31 -1.15 34.26 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 121.449 -0.782 . . . . 0.0 111.767 -175.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.23 43.07 1.79 Allowed Glycine 0 C--N 1.349 1.255 0 CA-C-O 116.24 -2.422 . . . . 0.0 116.47 175.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -62.71 -22.35 73.85 Favored 'Trans proline' 0 C--N 1.349 0.584 1 CA-C-N 125.776 4.788 . . . . 0.0 112.35 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.14 -41.66 79.53 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 126.601 1.96 . . . . 0.0 112.845 172.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.7 mt -77.6 -44.33 28.7 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.062 -1.024 . . . . 0.0 111.697 171.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.35 0.612 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -170.688 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.73 -36.7 78.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 O-C-N 120.822 -1.174 . . . . 0.0 113.481 -175.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 m -90.14 7.79 36.17 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.274 -1.516 . . . . 0.0 109.856 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt 51.54 24.82 2.43 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 127.642 2.377 . . . . 0.0 115.892 175.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.348 0.524 0 O-C-N 119.588 -1.945 . . . . 0.0 111.509 -167.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 121.886 0.85 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.7 mt -59.62 -34.22 72.49 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -178.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.37 95.77 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.057 -1.652 . . . . 0.0 113.194 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.6 m -63.73 -37.17 86.37 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.835 -1.166 . . . . 0.0 113.203 175.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.3 tp -70.33 -46.76 63.55 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 126.876 2.07 . . . . 0.0 112.568 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.23 -33.74 72.7 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 126.532 1.933 . . . . 0.0 113.194 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.5 -7.35 9.82 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 171.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -114.55 -42.33 3.3 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 120.478 -1.388 . . . . 0.0 109.769 174.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -96.15 -2.19 46.92 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.897 -1.127 . . . . 0.0 112.503 -172.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.99 50.2 0.82 Allowed Glycine 0 C--N 1.347 1.179 0 CA-C-O 117.296 -1.836 . . . . 0.0 114.794 173.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -64.44 -23.78 64.62 Favored 'Trans proline' 0 C--N 1.344 0.338 0 CA-C-N 124.016 3.908 . . . . 0.0 112.782 -173.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.67 -45.53 89.19 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.604 1.162 . . . . 0.0 112.21 173.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.84 -43.61 75.12 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 121.073 -1.017 . . . . 0.0 111.647 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.349 0.566 0 C-N-CA 124.715 1.206 . . . . 0.0 112.948 -178.145 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.32 -43.08 88.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 O-C-N 120.731 -1.231 . . . . 0.0 112.941 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 m -77.38 -15.04 59.57 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.74 -1.225 . . . . 0.0 110.958 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? 58.1 18.85 5.53 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 127.222 2.209 . . . . 0.0 116.935 171.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.349 0.567 0 O-C-N 119.913 -1.742 . . . . 0.0 113.556 -171.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 55.4 mt . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 122.602 1.191 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.21 -31.36 70.09 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.394 1.878 . . . . 0.0 113.326 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.27 93.76 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.194 -1.566 . . . . 0.0 113.54 172.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.7 t -65.25 -37.86 88.54 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.152 -1.593 . . . . 0.0 113.124 170.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.0 tp -62.47 -43.74 98.08 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.629 -1.294 . . . . 0.0 112.876 173.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.74 99.43 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 125.383 1.473 . . . . 0.0 112.723 172.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.09 40.26 0.47 Allowed 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.029 -1.67 . . . . 0.0 112.333 171.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 -61.14 0.28 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.408 1.883 . . . . 0.0 106.88 175.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -92.88 -2.95 55.41 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 121.242 -0.911 . . . . 0.0 112.737 -175.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.92 51.01 0.73 Allowed Glycine 0 C--N 1.348 1.236 0 CA-C-O 116.774 -2.126 . . . . 0.0 116.036 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -62.44 -23.06 74.82 Favored 'Trans proline' 0 C--N 1.346 0.422 1 CA-C-N 124.848 4.324 . . . . 0.0 112.392 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.92 -46.09 82.25 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 126.488 1.915 . . . . 0.0 112.524 171.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.98 -41.95 63.83 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.888 -1.132 . . . . 0.0 111.98 173.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.4 t80 . . . . . 0 C--N 1.349 0.58 0 C-N-CA 124.327 1.051 . . . . 0.0 113.399 -175.647 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.4 mt . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.1 m -68.12 -42.54 85.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 O-C-N 120.229 -1.545 . . . . 0.0 113.127 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.4 m -67.08 -38.27 85.44 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.608 -1.308 . . . . 0.0 112.368 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm 53.53 21.81 2.67 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 128.79 2.836 . . . . 0.0 118.421 -173.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.353 0.734 0 O-C-N 119.854 -1.779 . . . . 0.0 113.071 171.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 N--CA 1.437 -1.077 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp 50.52 52.26 12.05 Favored Pre-proline 0 CA--C 1.549 0.905 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.76 -29.26 35.83 Favored 'Trans proline' 0 CA--C 1.521 -0.169 0 C-N-CA 123.118 2.545 . . . . 0.0 114.532 -157.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.4 mt -42.11 -65.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.506 0 C-N-CA 127.355 2.262 . . . . 0.0 113.755 170.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.72 -15.63 63.57 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -172.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.23 94.78 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.353 -1.467 . . . . 0.0 112.39 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.3 m -63.94 -40.64 96.92 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.836 -1.165 . . . . 0.0 112.989 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.3 tp -65.5 -45.42 83.65 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.676 1.19 . . . . 0.0 112.851 174.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.74 -34.55 74.59 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 126.143 1.777 . . . . 0.0 112.993 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -9.49 52.12 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 120.464 -1.397 . . . . 0.0 114.701 173.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -112.09 -42.92 3.65 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.679 -1.263 . . . . 0.0 110.774 175.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -96.48 -1.76 46.65 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.761 -1.212 . . . . 0.0 112.019 -174.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.23 49.61 0.86 Allowed Glycine 0 C--N 1.346 1.115 0 CA-C-O 116.931 -2.038 . . . . 0.0 115.387 175.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -62.61 -22.48 74.01 Favored 'Trans proline' 0 C--N 1.348 0.505 1 CA-C-N 124.597 4.199 . . . . 0.0 112.052 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.81 -44.07 81.62 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.32 2.248 . . . . 0.0 112.623 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.67 -42.18 51.94 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.917 -1.115 . . . . 0.0 111.936 172.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -61.14 -44.37 97.43 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 124.321 1.048 . . . . 0.0 113.628 -174.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.9 -43.58 83.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.41 -44.49 83.37 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 O-C-N 120.148 -1.595 . . . . 0.0 113.454 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.0 m -74.6 -25.78 59.48 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 119.496 -2.003 . . . . 0.0 111.585 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm 58.33 18.82 5.8 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 127.938 2.495 . . . . 0.0 117.142 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.44 15.8 16.73 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.178 -1.576 . . . . 0.0 114.319 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 N--CA 1.443 -0.788 0 CA-C-O 122.446 1.117 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.07 137.9 95.72 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 124.489 1.116 . . . . 0.0 112.23 174.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -76.46 -26.45 8.66 Favored 'Trans proline' 0 C--N 1.327 -0.602 0 CA-C-N 122.954 2.091 . . . . 0.0 111.618 -162.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.4 ' H ' HG13 ' A' ' 4' ' ' ILE . 23.7 mt -39.75 -64.84 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.942 0 C-N-CA 127.281 2.232 . . . . 0.0 115.412 166.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.77 -34.08 77.1 Favored 'General case' 0 C--N 1.369 1.423 0 O-C-N 120.542 -1.349 . . . . 0.0 113.837 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.44 -41.32 89.36 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.81 -1.181 . . . . 0.0 113.262 171.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.0 m -62.02 -39.41 92.18 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.636 -1.29 . . . . 0.0 113.847 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.6 tp -68.25 -45.81 72.17 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 125.257 1.423 . . . . 0.0 113.478 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -30.98 69.53 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 126.519 1.928 . . . . 0.0 113.76 -176.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.02 -15.2 62.83 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -106.74 -39.01 5.94 Favored 'General case' 0 C--N 1.359 0.98 0 O-C-N 121.007 -1.058 . . . . 0.0 109.681 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -95.28 -2.1 50.1 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.169 -0.957 . . . . 0.0 111.728 -174.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.68 52.26 0.77 Allowed Glycine 0 C--N 1.348 1.245 0 CA-C-O 116.875 -2.069 . . . . 0.0 114.609 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -62.67 -23.13 74.53 Favored 'Trans proline' 0 C--N 1.344 0.329 0 CA-C-N 123.935 3.867 . . . . 0.0 111.668 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -56.92 -44.27 82.27 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 127.031 2.133 . . . . 0.0 112.557 171.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.87 -42.39 57.97 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 121.0 -1.062 . . . . 0.0 111.975 172.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.0 -41.83 97.27 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 124.473 1.109 . . . . 0.0 113.605 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.38 -43.78 76.59 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.9 -35.88 76.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 120.199 -1.563 . . . . 0.0 113.207 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.1 m -94.26 -13.75 26.21 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 121.266 -0.896 . . . . 0.0 111.644 -175.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 mptt 61.16 16.51 7.26 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 127.935 2.494 . . . . 0.0 115.784 175.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.99 19.8 4.11 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 119.885 -1.76 . . . . 0.0 114.232 -167.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 N--CA 1.44 -0.955 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.08 96.41 49.3 Favored Pre-proline 0 C--N 1.347 0.47 0 O-C-N 120.888 -1.132 . . . . 0.0 108.678 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -94.57 -37.07 0.03 OUTLIER 'Trans proline' 0 CA--C 1.514 -0.52 0 CA-C-N 121.945 1.73 . . . . 0.0 110.967 -164.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.4 mm -42.06 -65.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.501 0 C-N-CA 128.337 2.655 . . . . 0.0 113.697 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.25 -12.1 26.34 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -176.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.94 -44.0 97.25 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.026 -1.671 . . . . 0.0 112.654 173.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.3 m -63.28 -41.28 98.99 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.357 1.063 . . . . 0.0 112.57 172.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.8 tp -63.7 -43.96 95.06 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 124.279 1.031 . . . . 0.0 112.755 175.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.45 98.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.828 1.651 . . . . 0.0 113.369 174.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.01 -45.02 94.33 Favored 'General case' 0 C--N 1.346 0.438 0 O-C-N 120.254 -1.529 . . . . 0.0 113.21 171.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -64.74 -41.59 95.81 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -108.63 -3.64 17.78 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 119.796 -1.815 . . . . 0.0 113.682 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.78 54.75 0.71 Allowed Glycine 0 C--N 1.345 1.073 0 CA-C-O 117.742 -1.588 . . . . 0.0 115.233 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.18 -12.02 32.99 Favored 'Trans proline' 0 C--N 1.343 0.28 0 CA-C-N 123.445 3.623 . . . . 0.0 111.921 -176.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -58.73 -44.98 90.62 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.389 1.876 . . . . 0.0 112.024 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.06 -41.46 70.71 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.109 -0.994 . . . . 0.0 112.081 173.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -43.49 98.79 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.262 1.025 . . . . 0.0 113.086 -177.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.45 -43.96 88.73 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.35 -44.83 83.32 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 O-C-N 120.056 -1.652 . . . . 0.0 113.57 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -74.88 -27.51 60.27 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 119.482 -2.011 . . . . 0.0 111.741 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? 58.85 18.33 6.02 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 127.834 2.453 . . . . 0.0 116.937 -175.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.7 13.14 17.28 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 119.921 -1.737 . . . . 0.0 114.256 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 . . . . . 0 N--CA 1.446 -0.63 0 CA-C-O 121.54 0.686 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.27 132.56 23.45 Favored Pre-proline 0 N--CA 1.448 -0.562 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -71.54 -27.49 18.75 Favored 'Trans proline' 0 C--N 1.331 -0.37 0 C-N-CA 122.812 2.342 . . . . 0.0 113.164 -168.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.7 mm -41.03 -71.05 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 128.639 2.776 . . . . 0.0 111.624 168.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.96 -28.51 69.04 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.23 97.04 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.381 -1.449 . . . . 0.0 112.653 171.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.4 m -63.19 -42.19 99.3 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.661 -1.274 . . . . 0.0 112.663 173.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.95 -43.77 94.82 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.141 1.377 . . . . 0.0 112.845 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.9 71.16 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.873 2.069 . . . . 0.0 112.953 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.67 13.01 4.05 Favored 'General case' 0 N--CA 1.437 -1.108 0 O-C-N 120.198 -1.564 . . . . 0.0 114.746 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.68 -46.29 2.25 Favored 'General case' 0 C--N 1.367 1.34 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.007 165.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -95.45 -2.63 48.42 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.717 -1.239 . . . . 0.0 113.268 -172.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.85 49.52 0.84 Allowed Glycine 0 C--N 1.342 0.889 0 CA-C-O 116.565 -2.241 . . . . 0.0 116.282 175.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -62.7 -23.8 74.66 Favored 'Trans proline' 0 C--N 1.345 0.389 1 CA-C-N 124.824 4.312 . . . . 0.0 112.162 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.73 -44.87 86.3 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.519 1.927 . . . . 0.0 112.642 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.3 -42.63 62.17 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.996 -1.065 . . . . 0.0 111.814 173.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -60.54 -40.92 93.32 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.728 1.211 . . . . 0.0 113.233 -175.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.5 -47.16 70.81 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.3 m -67.32 -34.17 67.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 O-C-N 121.078 -1.013 . . . . 0.0 113.333 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -86.16 -9.45 56.58 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.614 -1.303 . . . . 0.0 110.271 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt 61.35 15.1 6.23 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 173.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 ptmm? -148.62 29.54 0.84 Allowed 'General case' 0 C--N 1.351 0.664 0 O-C-N 119.376 -2.078 . . . . 0.0 114.981 -168.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 . . . . . 0 N--CA 1.439 -1.004 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mp 46.79 53.22 13.23 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 117.403 2.371 . . . . 0.0 117.403 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.69 -29.41 43.16 Favored 'Trans proline' 0 CA--C 1.52 -0.217 0 C-N-CA 123.084 2.523 . . . . 0.0 114.268 -158.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.4 mt -41.7 -65.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.463 0 C-N-CA 127.449 2.299 . . . . 0.0 113.542 169.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.47 -15.47 63.27 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.79 -1.194 . . . . 0.0 114.133 -172.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.9 -40.8 94.5 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.362 -1.461 . . . . 0.0 112.746 171.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -66.24 -41.42 90.01 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 119.885 -1.76 . . . . 0.0 112.495 170.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.4 tp -62.32 -44.26 96.92 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 120.852 -1.155 . . . . 0.0 113.207 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.51 10.23 18.38 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.847 1.259 . . . . 0.0 112.37 -175.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.39 -25.75 8.26 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.153 0.981 . . . . 0.0 108.468 169.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -46.73 46.21 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.61 -1.306 . . . . 0.0 112.408 169.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -100.53 3.91 43.15 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.789 0.836 . . . . 0.0 110.892 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.1 47.05 1.08 Allowed Glycine 0 C--N 1.348 1.224 0 CA-C-O 116.48 -2.289 . . . . 0.0 116.25 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -61.88 -23.82 76.4 Favored 'Trans proline' 0 C--N 1.346 0.446 1 CA-C-N 125.181 4.49 . . . . 0.0 112.192 177.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.47 -44.32 84.74 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.716 2.006 . . . . 0.0 112.806 172.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.2 mt -77.13 -43.19 34.96 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.901 -1.124 . . . . 0.0 111.631 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -61.04 -43.06 99.45 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.608 1.163 . . . . 0.0 113.612 -173.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.27 -44.34 83.9 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.77 -39.53 82.14 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 120.635 -1.291 . . . . 0.0 113.325 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 m -78.71 -19.07 53.27 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.526 -1.359 . . . . 0.0 111.822 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt 54.39 20.72 2.86 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 117.23 2.307 . . . . 0.0 117.23 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.66 29.5 1.24 Allowed 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.221 -1.549 . . . . 0.0 112.782 -175.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.8 t80 . . . . . 0 N--CA 1.443 -0.79 0 CA-C-O 122.917 1.341 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.7 mp -87.63 133.08 38.77 Favored Pre-proline 0 N--CA 1.443 -0.801 0 O-C-N 120.419 -1.425 . . . . 0.0 110.41 -176.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -71.07 -28.28 19.28 Favored 'Trans proline' 0 C--O 1.222 -0.29 0 C-N-CA 122.214 1.943 . . . . 0.0 113.315 -168.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 mt -42.17 -65.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.662 0 C-N-CA 127.169 2.188 . . . . 0.0 113.906 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.54 -32.42 73.37 Favored 'General case' 0 C--O 1.206 -1.223 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.13 95.54 Favored 'General case' 0 C--N 1.361 1.069 0 O-C-N 120.908 -1.12 . . . . 0.0 113.268 172.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -62.18 -42.28 99.13 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.659 -1.275 . . . . 0.0 113.068 171.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.8 tp -64.35 -44.4 91.6 Favored 'General case' 0 C--O 1.241 0.658 0 C-N-CA 124.33 1.052 . . . . 0.0 113.254 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.71 70.22 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 127.215 2.206 . . . . 0.0 114.019 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.48 -36.43 76.01 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.136 -1.602 . . . . 0.0 114.493 172.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -83.76 -45.05 13.78 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.99 -1.069 . . . . 0.0 112.089 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -95.24 -1.71 51.03 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 121.125 -0.985 . . . . 0.0 112.412 -170.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.75 53.75 0.72 Allowed Glycine 0 C--N 1.344 1.005 0 CA-C-O 117.393 -1.782 . . . . 0.0 113.984 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -62.97 -22.66 73.93 Favored 'Trans proline' 0 C--N 1.347 0.487 0 CA-C-N 123.499 3.649 . . . . 0.0 112.038 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.61 -44.89 81.59 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 127.111 2.165 . . . . 0.0 112.591 171.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.99 -42.97 56.51 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.676 -1.265 . . . . 0.0 111.804 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -61.53 -40.32 94.23 Favored 'General case' 0 C--N 1.351 0.63 0 C-N-CA 125.45 1.5 . . . . 0.0 114.254 -175.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.39 -44.16 68.59 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -174.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.37 -41.35 92.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 120.755 -1.216 . . . . 0.0 113.633 -175.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 m -96.57 -0.81 48.17 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.096 -1.627 . . . . 0.0 110.228 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt 53.41 23.14 3.18 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 128.35 2.66 . . . . 0.0 117.626 174.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.74 5.45 17.63 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.013 -1.679 . . . . 0.0 114.742 -167.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 N--CA 1.445 -0.704 0 CA-C-O 122.451 1.12 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -118.36 134.88 23.39 Favored Pre-proline 0 N--CA 1.447 -0.62 0 C-N-CA 124.555 1.142 . . . . 0.0 108.453 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -69.6 -28.02 26.53 Favored 'Trans proline' 0 C--O 1.23 0.096 0 C-N-CA 122.538 2.158 . . . . 0.0 113.353 -167.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.401 HG13 ' H ' ' A' ' 4' ' ' ILE . 29.3 mt -42.23 -65.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.404 0 C-N-CA 127.473 2.309 . . . . 0.0 113.856 169.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.95 -26.02 68.13 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.711 -1.243 . . . . 0.0 114.248 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.03 98.31 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.444 -1.41 . . . . 0.0 112.785 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.0 m -63.41 -41.73 98.73 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.844 -1.16 . . . . 0.0 112.791 173.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.0 tp -63.55 -43.51 96.85 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 124.821 1.249 . . . . 0.0 113.054 173.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.89 71.23 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 125.915 1.686 . . . . 0.0 112.864 174.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.24 15.4 2.94 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 120.294 -1.503 . . . . 0.0 112.881 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.47 -47.56 2.1 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.276 -1.515 . . . . 0.0 109.357 163.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -97.84 -1.04 44.02 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 121.02 -1.05 . . . . 0.0 112.952 -170.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.72 47.7 1.01 Allowed Glycine 0 C--N 1.346 1.11 0 CA-C-O 116.604 -2.22 . . . . 0.0 115.721 175.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -62.4 -24.45 75.65 Favored 'Trans proline' 0 C--N 1.347 0.48 1 CA-C-N 124.951 4.375 . . . . 0.0 112.451 -178.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -57.78 -46.85 84.0 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 125.946 1.698 . . . . 0.0 112.459 173.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.66 -42.33 64.44 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.902 -1.124 . . . . 0.0 111.928 174.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -60.46 -43.92 96.39 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.761 1.225 . . . . 0.0 113.012 -176.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.47 -44.48 87.04 Favored 'General case' 0 C--N 1.349 0.551 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.99 -43.58 89.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 120.332 -1.48 . . . . 0.0 112.77 176.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -67.38 -38.2 84.35 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 120.394 -1.441 . . . . 0.0 112.118 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm 59.51 18.37 6.9 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 128.047 2.539 . . . . 0.0 115.525 -172.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.41 9.84 11.05 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 120.885 -1.134 . . . . 0.0 111.167 -175.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.0 p90 . . . . . 0 N--CA 1.44 -0.971 0 CA-C-O 121.547 0.689 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mp -121.43 137.93 27.57 Favored Pre-proline 0 C--N 1.349 0.559 0 O-C-N 120.878 -1.139 . . . . 0.0 109.575 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -75.64 -28.9 7.75 Favored 'Trans proline' 0 CA--C 1.52 -0.19 0 C-N-CA 122.378 2.052 . . . . 0.0 112.45 -169.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.8 mm -42.14 -65.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.416 0 C-N-CA 127.888 2.475 . . . . 0.0 113.819 172.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.17 -13.89 59.28 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.137 1.375 . . . . 0.0 114.342 -176.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.1 82.6 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.425 -1.422 . . . . 0.0 111.603 174.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 t -66.25 -39.94 89.84 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.297 -1.502 . . . . 0.0 112.713 172.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 tp -61.13 -46.09 91.99 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.818 -1.176 . . . . 0.0 112.578 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.76 91.33 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 125.089 1.356 . . . . 0.0 113.425 172.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.62 -11.58 60.7 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 119.943 -1.723 . . . . 0.0 113.803 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.31 -52.45 4.35 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.601 -1.312 . . . . 0.0 112.222 171.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -98.44 -0.71 43.0 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.949 -1.094 . . . . 0.0 112.476 -170.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.34 55.01 0.55 Allowed Glycine 0 C--N 1.346 1.122 0 CA-C-O 117.369 -1.795 . . . . 0.0 114.886 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -63.83 -20.38 68.36 Favored 'Trans proline' 0 C--N 1.345 0.389 0 CA-C-N 123.892 3.846 . . . . 0.0 112.091 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -55.96 -46.46 78.57 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 126.378 1.871 . . . . 0.0 112.148 171.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.36 -42.52 62.12 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.835 -1.165 . . . . 0.0 112.059 174.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.1 -39.01 91.04 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.919 1.288 . . . . 0.0 114.094 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.87 -45.2 75.19 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -174.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.02 -38.69 83.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.599 0 O-C-N 120.562 -1.336 . . . . 0.0 113.976 -175.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.96 -0.99 57.1 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 119.997 -1.689 . . . . 0.0 110.516 176.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt 59.03 18.68 6.52 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 116.54 2.052 . . . . 0.0 116.54 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 6.55 23.48 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 -159.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.4 p90 . . . . . 0 N--CA 1.445 -0.692 0 CA-C-O 122.119 0.961 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.8 mp -87.16 126.8 61.53 Favored Pre-proline 0 N--CA 1.445 -0.716 0 O-C-N 120.755 -1.215 . . . . 0.0 109.624 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -68.87 -26.19 32.2 Favored 'Trans proline' 0 CA--C 1.52 -0.209 0 CA-C-N 122.768 2.024 . . . . 0.0 112.986 -167.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.429 ' H ' HG13 ' A' ' 4' ' ' ILE . 29.0 mt -41.94 -66.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.37 0 C-N-CA 127.277 2.231 . . . . 0.0 113.902 164.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.16 -33.39 75.89 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 120.649 -1.282 . . . . 0.0 113.528 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.21 -42.14 98.07 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.569 -1.332 . . . . 0.0 113.192 172.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.5 m -62.82 -42.5 99.75 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.58 1.152 . . . . 0.0 112.873 173.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.44 -43.6 96.97 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.054 1.341 . . . . 0.0 112.962 173.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.02 71.71 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 125.992 1.717 . . . . 0.0 112.962 175.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.24 14.42 2.4 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.164 -1.585 . . . . 0.0 113.048 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.59 -46.27 2.15 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.173 -1.579 . . . . 0.0 109.923 163.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -96.9 -2.2 44.3 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.863 -1.148 . . . . 0.0 112.933 -171.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.04 47.36 1.05 Allowed Glycine 0 C--N 1.346 1.097 0 CA-C-O 116.443 -2.31 . . . . 0.0 115.846 175.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -62.51 -24.5 75.36 Favored 'Trans proline' 0 C--N 1.348 0.505 1 CA-C-N 125.174 4.487 . . . . 0.0 112.412 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.13 -46.43 85.63 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 125.95 1.7 . . . . 0.0 112.335 172.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -72.28 -41.96 66.07 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.941 -1.1 . . . . 0.0 111.968 174.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -60.59 -43.61 97.19 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 124.649 1.18 . . . . 0.0 112.891 -176.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.57 -45.36 90.8 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -68.18 -43.19 85.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 O-C-N 120.35 -1.469 . . . . 0.0 112.944 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.5 m -66.7 -40.96 88.71 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.586 -1.321 . . . . 0.0 112.377 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 mtmm 56.55 20.7 5.08 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 128.01 2.524 . . . . 0.0 116.165 -170.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.86 10.81 11.68 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.52 -1.363 . . . . 0.0 111.497 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 . . . . . 0 N--CA 1.445 -0.69 0 CA-C-O 121.698 0.761 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.34 130.81 23.97 Favored Pre-proline 0 N--CA 1.449 -0.496 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -69.54 -28.86 25.78 Favored 'Trans proline' 0 CA--C 1.52 -0.199 0 CA-C-N 122.772 2.026 . . . . 0.0 113.23 -165.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.8 mt -41.98 -65.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.399 0 C-N-CA 127.532 2.333 . . . . 0.0 113.782 170.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.13 -26.27 68.21 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -175.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.39 92.57 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.277 -1.515 . . . . 0.0 113.182 173.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.72 -40.87 98.52 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.777 -1.202 . . . . 0.0 112.744 172.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 tp -65.44 -46.6 79.26 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.578 -1.326 . . . . 0.0 113.072 172.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.75 84.09 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.505 1.922 . . . . 0.0 114.096 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.89 94.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 120.53 -1.357 . . . . 0.0 113.98 173.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -76.95 -44.9 29.57 Favored 'General case' 0 C--N 1.349 0.587 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -95.83 -2.78 46.79 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.982 -1.074 . . . . 0.0 111.947 -172.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.15 53.07 0.78 Allowed Glycine 0 C--N 1.344 0.998 0 CA-C-O 117.551 -1.694 . . . . 0.0 114.378 176.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.0 -13.74 37.16 Favored 'Trans proline' 0 C--N 1.345 0.371 0 CA-C-N 123.563 3.682 . . . . 0.0 111.235 -176.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -58.0 -46.39 85.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.498 1.919 . . . . 0.0 111.982 169.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.65 -42.15 67.89 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.984 -1.073 . . . . 0.0 111.798 175.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -60.93 -42.1 97.5 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 124.981 1.312 . . . . 0.0 112.843 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.2 mt -65.63 -46.55 78.82 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 m -67.69 -43.37 86.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 O-C-N 120.734 -1.229 . . . . 0.0 112.991 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -81.11 -14.86 57.3 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.805 -1.185 . . . . 0.0 111.049 -176.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? 57.83 19.65 5.88 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 128.138 2.575 . . . . 0.0 117.46 167.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.34 15.07 5.58 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.304 -1.498 . . . . 0.0 113.405 -177.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 . . . . . 0 N--CA 1.439 -1.008 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp 48.44 52.73 13.17 Favored Pre-proline 0 CA--C 1.55 0.968 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 175.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.48 -25.53 29.81 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.22 2.613 . . . . 0.0 113.322 -163.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.1 mm -42.02 -65.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.392 0 C-N-CA 127.62 2.368 . . . . 0.0 113.331 167.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.19 -20.1 62.32 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.464 -1.398 . . . . 0.0 114.207 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.42 99.28 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 120.168 -1.582 . . . . 0.0 112.183 170.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.1 m -62.33 -35.67 79.81 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.06 1.344 . . . . 0.0 113.298 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.2 tp -71.76 -47.23 55.0 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.526 1.131 . . . . 0.0 113.603 169.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.83 79.49 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 127.009 2.124 . . . . 0.0 114.838 -172.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.06 79.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.475 -1.391 . . . . 0.0 113.963 173.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.13 -44.48 19.84 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.603 1.161 . . . . 0.0 111.891 -177.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -95.74 -0.25 51.62 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 121.146 -0.971 . . . . 0.0 111.592 -174.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.78 53.42 0.8 Allowed Glycine 0 C--N 1.343 0.96 0 CA-C-O 117.258 -1.857 . . . . 0.0 114.191 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -63.14 -21.84 72.76 Favored 'Trans proline' 0 C--N 1.346 0.425 0 CA-C-N 123.737 3.768 . . . . 0.0 111.638 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -56.48 -45.15 81.1 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.942 2.097 . . . . 0.0 112.473 169.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.5 mt -73.69 -42.08 61.77 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.899 -1.125 . . . . 0.0 111.777 173.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -60.98 -43.93 98.12 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 124.368 1.067 . . . . 0.0 113.466 -175.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.35 -44.38 95.02 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.4 m -68.14 -39.68 81.69 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 O-C-N 120.35 -1.469 . . . . 0.0 113.139 174.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.1 m -67.19 -42.65 83.83 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.27 -1.518 . . . . 0.0 113.095 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.95 18.99 5.45 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 127.161 2.184 . . . . 0.0 115.508 -166.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.78 16.1 7.47 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 119.621 -1.925 . . . . 0.0 111.869 -177.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 . . . . . 0 N--CA 1.437 -1.096 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.2 mp 46.52 54.54 14.91 Favored Pre-proline 0 CA--C 1.548 0.901 0 N-CA-C 117.368 2.359 . . . . 0.0 117.368 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.5 -24.8 35.81 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.28 2.653 . . . . 0.0 113.505 -163.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.7 mm -42.06 -65.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.389 0 C-N-CA 127.909 2.484 . . . . 0.0 113.48 168.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 pp -69.1 -16.86 63.77 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 120.513 -1.367 . . . . 0.0 114.588 -173.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.34 98.81 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.252 -1.53 . . . . 0.0 112.352 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.1 m -64.2 -41.31 97.12 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 121.023 -1.048 . . . . 0.0 112.474 172.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.1 tp -63.11 -46.12 88.85 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.031 0.932 . . . . 0.0 112.781 174.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.1 76.48 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 125.727 1.611 . . . . 0.0 112.615 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.85 -10.45 58.5 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 120.482 -1.386 . . . . 0.0 114.603 174.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -30.25 7.83 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.456 -2.028 . . . . 0.0 113.396 167.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -110.6 -3.58 15.86 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.774 -1.204 . . . . 0.0 112.337 -171.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.18 45.31 1.29 Allowed Glycine 0 C--N 1.346 1.103 0 CA-C-O 116.292 -2.393 . . . . 0.0 115.53 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -61.37 -25.75 80.55 Favored 'Trans proline' 0 C--N 1.349 0.555 1 CA-C-N 125.096 4.448 . . . . 0.0 112.502 -177.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -57.52 -43.91 84.67 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 126.587 1.955 . . . . 0.0 112.903 173.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -76.88 -42.69 38.8 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.697 -1.252 . . . . 0.0 111.697 172.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -60.68 -45.64 93.37 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.611 1.165 . . . . 0.0 113.59 -172.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.64 -45.62 82.31 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.12 -40.11 86.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.215 -1.553 . . . . 0.0 112.573 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -61.88 -35.33 78.01 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 125.355 1.462 . . . . 0.0 111.53 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm 52.09 24.55 2.76 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 128.748 2.819 . . . . 0.0 116.291 -168.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -99.44 -6.17 28.14 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.161 -1.587 . . . . 0.0 111.151 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 N--CA 1.438 -1.058 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.3 mt 48.41 47.53 4.84 Favored Pre-proline 0 CA--C 1.547 0.861 0 N-CA-C 118.344 2.72 . . . . 0.0 118.344 170.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.43 -29.38 37.8 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.974 2.449 . . . . 0.0 114.531 -157.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.9 mt -42.07 -65.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.455 0 C-N-CA 127.772 2.429 . . . . 0.0 113.497 170.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.88 -13.4 59.55 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -169.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.71 92.54 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.305 -1.497 . . . . 0.0 112.947 172.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.6 m -64.73 -41.84 95.65 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.113 -0.992 . . . . 0.0 112.671 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.33 -47.03 83.9 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.661 1.184 . . . . 0.0 112.354 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.94 98.49 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 125.483 1.513 . . . . 0.0 113.739 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.92 88.5 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.528 -1.357 . . . . 0.0 113.72 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -70.92 -43.64 67.84 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -102.47 -4.04 25.99 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.369 -1.457 . . . . 0.0 111.997 -171.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.21 52.44 0.8 Allowed Glycine 0 C--N 1.347 1.172 0 CA-C-O 117.882 -1.51 . . . . 0.0 114.198 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.0 -11.34 30.33 Favored 'Trans proline' 0 C--N 1.344 0.328 0 CA-C-N 123.038 3.419 . . . . 0.0 112.343 -168.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -61.06 -43.6 98.65 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.966 1.706 . . . . 0.0 112.52 172.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.2 mt -68.44 -40.95 80.95 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.056 -1.027 . . . . 0.0 112.291 171.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -60.82 -45.07 95.89 Favored 'General case' 0 C--N 1.348 0.513 0 C-N-CA 124.38 1.072 . . . . 0.0 112.482 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.7 mt -64.94 -45.34 86.2 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 176.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.8 m -66.65 -42.45 89.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.156 -1.59 . . . . 0.0 113.179 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -66.11 -29.32 69.61 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 120.133 -1.604 . . . . 0.0 111.601 174.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm 51.76 25.27 2.83 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 128.333 2.653 . . . . 0.0 116.1 -169.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -99.19 -2.57 36.45 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.357 -1.464 . . . . 0.0 111.479 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 . . . . . 0 N--CA 1.441 -0.915 0 CA-C-O 121.674 0.749 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.7 mp -141.57 143.9 31.37 Favored Pre-proline 0 N--CA 1.448 -0.537 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -75.85 -27.46 8.68 Favored 'Trans proline' 0 CA--C 1.515 -0.462 0 CA-C-N 123.038 2.121 . . . . 0.0 112.429 -166.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.3 mt -43.2 -64.64 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 C-N-CA 128.588 2.755 . . . . 0.0 113.474 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -61.06 -24.6 66.32 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.426 1.49 . . . . 0.0 114.981 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.41 -44.94 89.23 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 120.544 -1.348 . . . . 0.0 114.357 174.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.3 m -61.93 -41.74 98.3 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.683 -1.26 . . . . 0.0 112.776 172.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.1 tp -63.37 -43.78 96.65 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.336 1.054 . . . . 0.0 112.651 175.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.16 98.37 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 125.407 1.483 . . . . 0.0 113.508 174.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.21 -44.53 95.05 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.085 -1.634 . . . . 0.0 113.463 171.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 tptp -64.11 -40.84 97.06 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -108.56 -3.55 17.94 Favored 'General case' 0 C--N 1.34 0.153 0 O-C-N 120.262 -1.524 . . . . 0.0 113.95 -176.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.61 53.63 0.74 Allowed Glycine 0 C--N 1.346 1.087 0 CA-C-O 117.598 -1.668 . . . . 0.0 115.834 -177.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -69.04 -9.61 26.83 Favored 'Trans proline' 0 C--N 1.343 0.28 0 CA-C-N 123.661 3.73 . . . . 0.0 112.596 -173.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -59.36 -44.39 92.7 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.834 1.254 . . . . 0.0 111.693 169.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.61 -40.82 76.37 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.29 -0.881 . . . . 0.0 112.014 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -60.34 -43.54 96.36 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 124.596 1.158 . . . . 0.0 112.667 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.59 -44.78 77.31 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.8 m -68.63 -41.37 82.75 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 O-C-N 120.415 -1.428 . . . . 0.0 113.82 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.0 m -82.22 -12.5 58.06 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.354 -1.466 . . . . 0.0 111.239 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt 44.85 30.9 0.6 Allowed 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 128.633 2.773 . . . . 0.0 116.98 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -121.79 4.01 10.02 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.337 -1.477 . . . . 0.0 112.933 -170.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 . . . . . 0 N--CA 1.438 -1.064 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.5 tp 50.86 53.44 13.9 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 174.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -71.55 -13.07 29.95 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.751 2.301 . . . . 0.0 113.52 -156.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.3 mm -41.75 -65.1 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 128.808 2.843 . . . . 0.0 113.319 164.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -22.42 55.77 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 -166.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.83 88.73 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.455 -1.403 . . . . 0.0 113.266 172.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.8 m -65.01 -40.99 95.73 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.792 -1.193 . . . . 0.0 112.705 174.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.0 tp -65.14 -46.58 80.32 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 124.669 1.188 . . . . 0.0 112.319 175.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.44 77.27 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.178 1.791 . . . . 0.0 113.296 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.17 -10.84 60.08 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.59 -1.319 . . . . 0.0 114.335 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -112.6 -42.9 3.55 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.778 -1.201 . . . . 0.0 111.131 176.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -97.21 -2.12 43.51 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 120.698 -1.252 . . . . 0.0 111.512 -174.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.23 47.22 1.04 Allowed Glycine 0 C--N 1.348 1.214 0 CA-C-O 116.835 -2.092 . . . . 0.0 115.617 176.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -61.54 -24.05 77.5 Favored 'Trans proline' 0 C--N 1.347 0.5 1 CA-C-N 124.621 4.211 . . . . 0.0 112.605 -179.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -57.55 -44.62 85.35 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 126.768 2.027 . . . . 0.0 112.715 172.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.3 mt -72.67 -41.63 65.19 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.597 -1.314 . . . . 0.0 112.166 171.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.51 -43.67 96.83 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 124.84 1.256 . . . . 0.0 113.932 -173.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.2 mt -66.18 -41.34 90.42 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.33 -44.42 90.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 O-C-N 119.793 -1.817 . . . . 0.0 112.718 174.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -92.55 -1.15 57.15 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 121.014 -1.054 . . . . 0.0 111.988 -168.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm 47.29 28.13 0.99 Allowed 'General case' 0 C--N 1.347 0.472 0 C-N-CA 128.35 2.66 . . . . 0.0 117.277 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.0 -6.41 15.68 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 119.258 -2.151 . . . . 0.0 112.117 -166.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 N--CA 1.438 -1.026 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.5 tp 19.01 80.18 0.13 Allowed Pre-proline 0 C--N 1.355 0.83 0 C-N-CA 129.277 3.031 . . . . 0.0 119.019 175.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -99.7 60.01 0.05 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.378 0 CA-C-N 122.167 1.81 . . . . 0.0 110.742 -151.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 55.3 mt -42.06 -65.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.505 0 C-N-CA 128.63 2.772 . . . . 0.0 112.14 167.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.11 -22.81 61.43 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.74 98.64 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.104 -1.623 . . . . 0.0 112.817 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.8 m -63.97 -41.96 97.38 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-O 122.059 0.933 . . . . 0.0 112.157 173.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 tp -64.12 -45.26 89.38 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.227 1.011 . . . . 0.0 112.777 175.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.07 99.14 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 125.84 1.656 . . . . 0.0 113.673 176.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.83 97.82 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.449 -1.407 . . . . 0.0 113.249 172.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -67.24 -44.91 78.26 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -104.97 -6.05 20.44 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.834 -1.166 . . . . 0.0 112.926 -172.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.39 48.81 0.9 Allowed Glycine 0 C--N 1.345 1.07 0 CA-C-O 117.046 -1.975 . . . . 0.0 115.546 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -70.46 -12.24 31.25 Favored 'Trans proline' 0 CA--C 1.517 -0.342 1 CA-C-N 124.709 4.254 . . . . 0.0 112.304 -170.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.61 -45.76 92.8 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.656 1.183 . . . . 0.0 111.667 170.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.68 -41.75 78.77 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 121.24 -0.912 . . . . 0.0 111.995 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -61.39 -43.69 98.44 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.458 1.103 . . . . 0.0 112.892 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.11 -42.78 96.75 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.07 -45.57 86.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.61 0 O-C-N 120.117 -1.614 . . . . 0.0 113.472 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -75.22 -27.78 59.69 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 119.638 -1.914 . . . . 0.0 111.911 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm 58.08 19.94 6.48 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 127.547 2.339 . . . . 0.0 116.308 -174.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.69 13.23 18.57 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.747 -1.22 . . . . 0.0 112.176 -176.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 . . . . . 0 N--CA 1.438 -1.045 0 CA-C-O 121.702 0.763 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.3 tp 47.4 66.7 5.29 Favored Pre-proline 0 C--N 1.352 0.695 0 N-CA-C 117.516 2.413 . . . . 0.0 117.516 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -95.63 65.95 0.2 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 CA-C-N 122.254 1.841 . . . . 0.0 110.799 -155.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.0 mm -41.98 -65.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.531 0 C-N-CA 129.116 2.966 . . . . 0.0 112.091 167.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -53.42 -31.76 46.64 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.285 1.834 . . . . 0.0 115.727 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.64 93.82 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 119.943 -1.723 . . . . 0.0 113.223 174.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 t -62.57 -41.78 99.14 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 120.748 -1.22 . . . . 0.0 112.014 173.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 tp -66.03 -46.79 76.6 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 123.944 0.898 . . . . 0.0 113.162 173.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.41 83.52 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 126.526 1.93 . . . . 0.0 114.066 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.94 -39.06 88.06 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 120.47 -1.394 . . . . 0.0 113.886 172.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -77.38 -45.56 25.55 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -98.49 -2.72 38.2 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.129 -0.982 . . . . 0.0 112.191 -172.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.64 45.96 1.18 Allowed Glycine 0 C--N 1.346 1.092 0 CA-C-O 116.593 -2.226 . . . . 0.0 115.365 175.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -63.65 -22.73 70.11 Favored 'Trans proline' 0 C--N 1.346 0.443 1 CA-C-N 124.948 4.374 . . . . 0.0 112.278 -177.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -59.52 -41.16 89.33 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.645 1.578 . . . . 0.0 112.917 171.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.85 -42.71 60.42 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.738 -1.226 . . . . 0.0 111.978 171.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -61.18 -46.17 91.59 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.197 0.999 . . . . 0.0 113.272 -175.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.81 -42.57 94.89 Favored 'General case' 0 C--N 1.347 0.49 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 177.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.54 -44.37 79.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.084 -1.635 . . . . 0.0 113.5 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.4 m -65.25 -38.91 91.8 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 119.793 -1.817 . . . . 0.0 112.656 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm 53.77 21.64 2.8 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 128.044 2.537 . . . . 0.0 117.419 -171.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.52 21.05 7.88 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.516 -1.365 . . . . 0.0 111.952 175.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 . . . . . 0 N--CA 1.445 -0.697 0 CA-C-O 121.132 0.491 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.9 mp 78.9 172.93 0.09 OUTLIER Pre-proline 0 C--N 1.349 0.566 0 C-N-CA 127.593 2.357 . . . . 0.0 110.931 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -79.32 -30.3 2.65 Favored 'Trans proline' 0 CA--C 1.512 -0.582 0 CA-C-N 122.758 2.021 . . . . 0.0 110.795 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.8 mm -42.12 -65.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.568 0 C-N-CA 128.515 2.726 . . . . 0.0 113.245 -155.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 pp -56.14 -9.89 0.73 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.89 93.12 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.671 -1.893 . . . . 0.0 113.427 175.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.2 p -65.04 -41.12 95.49 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.5 -1.375 . . . . 0.0 112.869 174.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.9 tp -63.83 -45.06 91.29 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 126.408 1.883 . . . . 0.0 112.601 174.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.89 88.76 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.778 1.631 . . . . 0.0 112.487 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.48 18.96 1.34 Allowed 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 120.428 -1.42 . . . . 0.0 112.482 174.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.21 -47.85 1.33 Allowed 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 119.539 -1.976 . . . . 0.0 111.548 168.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -101.31 -1.15 34.26 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 121.449 -0.782 . . . . 0.0 111.767 -175.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.23 43.07 1.79 Allowed Glycine 0 C--N 1.349 1.255 0 CA-C-O 116.24 -2.422 . . . . 0.0 116.47 175.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -62.71 -22.35 73.85 Favored 'Trans proline' 0 C--N 1.349 0.584 1 CA-C-N 125.776 4.788 . . . . 0.0 112.35 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.14 -41.66 79.53 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 126.601 1.96 . . . . 0.0 112.845 172.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.7 mt -77.6 -44.33 28.7 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.062 -1.024 . . . . 0.0 111.697 171.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -61.49 -44.05 97.77 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -170.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.4 mt -72.18 -47.63 49.36 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 124.491 1.116 . . . . 0.0 113.862 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.73 -36.7 78.19 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 O-C-N 120.822 -1.174 . . . . 0.0 113.481 -175.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 m -90.14 7.79 36.17 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.274 -1.516 . . . . 0.0 109.856 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt 51.54 24.82 2.43 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 127.642 2.377 . . . . 0.0 115.892 175.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.71 -12.73 16.81 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 119.588 -1.945 . . . . 0.0 111.509 -167.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 . . . . . 0 N--CA 1.439 -0.984 0 CA-C-O 122.172 0.987 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.28 103.78 48.96 Favored Pre-proline 0 N--CA 1.449 -0.48 0 O-C-N 120.431 -1.418 . . . . 0.0 109.416 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -104.96 12.11 0.22 Allowed 'Trans proline' 0 CA--C 1.518 -0.325 0 CA-C-N 121.111 1.432 . . . . 0.0 110.581 -167.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.623 HD12 ' H ' ' A' ' 4' ' ' ILE . 5.2 mp -42.01 -65.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.552 0 C-N-CA 127.686 2.394 . . . . 0.0 112.505 170.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.7 mt -59.62 -34.22 72.49 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -178.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.37 95.77 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.057 -1.652 . . . . 0.0 113.194 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.6 m -63.73 -37.17 86.37 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.835 -1.166 . . . . 0.0 113.203 175.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.3 tp -70.33 -46.76 63.55 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 126.876 2.07 . . . . 0.0 112.568 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.23 -33.74 72.7 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 126.532 1.933 . . . . 0.0 113.194 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.5 -7.35 9.82 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 171.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -114.55 -42.33 3.3 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 120.478 -1.388 . . . . 0.0 109.769 174.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -96.15 -2.19 46.92 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.897 -1.127 . . . . 0.0 112.503 -172.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.99 50.2 0.82 Allowed Glycine 0 C--N 1.347 1.179 0 CA-C-O 117.296 -1.836 . . . . 0.0 114.794 173.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -64.44 -23.78 64.62 Favored 'Trans proline' 0 C--N 1.344 0.338 0 CA-C-N 124.016 3.908 . . . . 0.0 112.782 -173.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.67 -45.53 89.19 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.604 1.162 . . . . 0.0 112.21 173.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.84 -43.61 75.12 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 121.073 -1.017 . . . . 0.0 111.647 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.93 -43.51 98.7 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.715 1.206 . . . . 0.0 112.948 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.35 -45.59 79.64 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.32 -43.08 88.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 O-C-N 120.731 -1.231 . . . . 0.0 112.941 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 m -77.38 -15.04 59.57 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.74 -1.225 . . . . 0.0 110.958 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? 58.1 18.85 5.53 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 127.222 2.209 . . . . 0.0 116.935 171.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.34 22.93 2.19 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 119.913 -1.742 . . . . 0.0 113.556 -171.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 20.7 t80 . . . . . 0 N--CA 1.437 -1.086 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mp -81.88 119.49 75.36 Favored Pre-proline 0 N--CA 1.446 -0.674 0 O-C-N 120.336 -1.477 . . . . 0.0 109.512 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -77.07 -26.46 7.73 Favored 'Trans proline' 0 CA--C 1.518 -0.319 0 CA-C-N 122.457 1.913 . . . . 0.0 112.786 -157.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 55.4 mt -42.08 -65.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.455 0 C-N-CA 126.999 2.12 . . . . 0.0 112.571 164.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.21 -31.36 70.09 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.394 1.878 . . . . 0.0 113.326 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.27 93.76 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.194 -1.566 . . . . 0.0 113.54 172.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.7 t -65.25 -37.86 88.54 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.152 -1.593 . . . . 0.0 113.124 170.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.0 tp -62.47 -43.74 98.08 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.629 -1.294 . . . . 0.0 112.876 173.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.74 99.43 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 125.383 1.473 . . . . 0.0 112.723 172.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.09 40.26 0.47 Allowed 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.029 -1.67 . . . . 0.0 112.333 171.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 -61.14 0.28 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.408 1.883 . . . . 0.0 106.88 175.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -92.88 -2.95 55.41 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 121.242 -0.911 . . . . 0.0 112.737 -175.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.92 51.01 0.73 Allowed Glycine 0 C--N 1.348 1.236 0 CA-C-O 116.774 -2.126 . . . . 0.0 116.036 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -62.44 -23.06 74.82 Favored 'Trans proline' 0 C--N 1.346 0.422 1 CA-C-N 124.848 4.324 . . . . 0.0 112.392 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.92 -46.09 82.25 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 126.488 1.915 . . . . 0.0 112.524 171.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.98 -41.95 63.83 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.888 -1.132 . . . . 0.0 111.98 173.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -61.15 -43.64 98.56 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.327 1.051 . . . . 0.0 113.399 -175.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.33 -44.82 93.83 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.1 m -68.12 -42.54 85.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 O-C-N 120.229 -1.545 . . . . 0.0 113.127 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.4 m -67.08 -38.27 85.44 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.608 -1.308 . . . . 0.0 112.368 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm 53.53 21.81 2.67 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 128.79 2.836 . . . . 0.0 118.421 -173.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.33 14.42 8.95 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 119.854 -1.779 . . . . 0.0 113.071 171.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_