data_6g4v_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 6g4v _Structure_validation_residue.Date_analyzed 2019-10-11 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -88.13 103.93 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.473 0 CA-C-N 123.313 2.219 . . . . 0.0 109.513 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.55 -41.99 89.84 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 C-N-CA 125.503 1.521 . . . . 0.0 113.081 -170.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.07 -42.25 98.14 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 124.632 1.173 . . . . 0.0 112.748 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.07 90.96 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 121.215 -0.928 . . . . 0.0 112.581 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.5 m -62.35 -43.32 99.09 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.51 -45.52 90.29 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.886 -1.134 . . . . 0.0 111.963 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.53 99.0 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.082 0.953 . . . . 0.0 112.901 174.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.61 99.09 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.626 -1.296 . . . . 0.0 114.407 173.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -70.39 -45.45 65.97 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.401 -1.437 . . . . 0.0 113.74 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -83.15 -44.32 15.21 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.195 -1.566 . . . . 0.0 113.164 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.14 53.49 0.63 Allowed Glycine 0 C--N 1.34 0.801 0 CA-C-O 116.522 -2.265 . . . . 0.0 116.212 -162.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -68.45 -6.88 18.71 Favored 'Trans proline' 0 N--CA 1.472 0.21 1 CA-C-N 124.301 4.051 . . . . 0.0 110.906 177.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -54.58 -43.84 72.47 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 129.336 3.054 . . . . 0.0 111.966 166.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 pp -67.36 -41.77 84.54 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 120.559 -1.338 . . . . 0.0 113.125 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -62.37 -43.13 99.53 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 121.147 -0.971 . . . . 0.0 111.881 174.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.6 m -59.41 -40.53 86.95 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 124.791 1.236 . . . . 0.0 113.115 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.84 -43.36 99.01 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.7 -1.25 . . . . 0.0 114.186 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -85.47 -56.22 5.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 O-C-N 120.529 -1.357 . . . . 0.0 114.186 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 t -96.71 56.13 1.46 Allowed 'General case' 0 C--N 1.352 0.698 0 CA-C-O 124.363 2.03 . . . . 0.0 111.311 -165.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm . . . . . 0 N--CA 1.449 -0.483 0 C-N-CA 126.45 1.9 . . . . 0.0 114.046 -178.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -56.46 117.96 4.71 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.742 2.295 . . . . 0.0 114.236 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.99 -43.88 92.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 C-N-CA 124.693 1.197 . . . . 0.0 111.749 -175.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.06 -43.59 98.66 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.809 1.243 . . . . 0.0 112.384 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.65 95.89 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 121.092 -1.005 . . . . 0.0 112.847 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.8 t -61.6 -42.8 99.38 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.957 -1.089 . . . . 0.0 113.217 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -67.77 -51.85 44.13 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 120.811 -1.181 . . . . 0.0 112.341 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.49 -42.81 91.74 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -175.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.92 -16.46 60.02 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.267 -1.521 . . . . 0.0 113.046 -178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -90.82 -52.63 4.77 Favored 'General case' 0 N--CA 1.447 -0.625 0 O-C-N 121.021 -1.049 . . . . 0.0 111.991 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -73.97 -45.12 52.14 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.045 -1.66 . . . . 0.0 112.754 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.81 42.17 1.45 Allowed Glycine 0 C--N 1.343 0.929 0 CA-C-O 115.424 -2.876 . . . . 0.0 116.805 -165.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -68.01 -8.85 23.86 Favored 'Trans proline' 0 C--N 1.345 0.393 1 CA-C-N 126.308 5.054 . . . . 0.0 111.965 -175.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -56.94 -42.3 79.79 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 127.218 2.207 . . . . 0.0 112.079 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.72 -41.02 92.77 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 120.72 -1.238 . . . . 0.0 113.142 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -62.84 -43.63 98.27 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 121.062 -1.024 . . . . 0.0 112.035 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -59.56 -40.22 86.6 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 123.961 0.905 . . . . 0.0 113.383 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.23 -44.53 94.99 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.598 -1.314 . . . . 0.0 114.092 173.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.96 -45.49 22.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 120.159 -1.588 . . . . 0.0 114.908 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -91.41 13.4 17.64 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -152.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 mttp . . . . . 0 CA--C 1.539 0.546 1 N-CA-C 122.104 4.113 . . . . 0.0 122.104 -170.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 N--CA 1.448 -0.567 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -57.43 117.31 3.99 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 CA-C-N 123.505 2.288 . . . . 0.0 114.111 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.08 -45.73 82.86 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 C-N-CA 124.0 0.92 . . . . 0.0 111.87 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.19 -44.42 96.64 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.432 1.093 . . . . 0.0 112.654 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.54 96.7 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 121.137 -0.977 . . . . 0.0 112.715 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -62.61 -43.07 99.73 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 121.016 -1.052 . . . . 0.0 113.249 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.16 -49.34 65.1 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 124.065 0.946 . . . . 0.0 112.864 175.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.73 91.23 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 124.688 1.195 . . . . 0.0 113.73 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.36 -16.73 63.01 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -92.59 -54.19 3.88 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.804 -1.185 . . . . 0.0 110.745 170.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -66.65 -43.65 84.03 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.682 1.193 . . . . 0.0 114.177 -174.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.72 54.64 0.52 Allowed Glycine 0 C--N 1.345 1.048 0 CA-C-O 117.086 -1.952 . . . . 0.0 114.898 -173.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -67.88 -8.01 21.29 Favored 'Trans proline' 0 CA--C 1.517 -0.355 0 CA-C-N 123.934 3.867 . . . . 0.0 112.728 -172.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -58.68 -38.73 78.84 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 127.171 2.189 . . . . 0.0 112.0 175.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.02 -39.0 90.77 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -177.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -62.4 -45.45 93.08 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 121.086 -1.008 . . . . 0.0 112.191 178.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 m -61.65 -39.87 92.9 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.475 1.11 . . . . 0.0 113.24 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.43 -43.5 97.27 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.858 -1.151 . . . . 0.0 113.93 174.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -85.18 -56.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 O-C-N 120.512 -1.368 . . . . 0.0 114.068 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.262 14.2 t -101.34 58.54 0.87 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-O 125.016 2.341 . . . . 0.0 111.082 -164.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 126.571 1.948 . . . . 0.0 114.328 -174.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -57.73 118.69 5.6 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.59 2.193 . . . . 0.0 114.325 177.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.3 mt -66.1 -44.28 91.92 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 C-N-CA 124.519 1.128 . . . . 0.0 111.781 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.34 -44.18 97.61 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.759 1.224 . . . . 0.0 112.591 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.96 98.62 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.082 -1.011 . . . . 0.0 112.748 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 t -62.27 -42.89 99.74 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.926 -1.109 . . . . 0.0 113.357 176.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.81 -48.44 68.96 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.158 0.983 . . . . 0.0 112.652 174.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.13 91.41 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 124.932 1.293 . . . . 0.0 113.491 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.44 -15.83 63.36 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -94.26 -57.82 2.4 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.758 -1.214 . . . . 0.0 110.844 172.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -68.39 -44.02 76.03 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.472 -1.393 . . . . 0.0 113.412 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.16 36.48 2.25 Favored Glycine 0 C--N 1.345 1.032 0 CA-C-O 114.497 -3.39 . . . . 0.0 117.838 -167.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.41 -12.21 33.04 Favored 'Trans proline' 0 C--N 1.346 0.401 1 CA-C-N 127.772 5.786 . . . . 0.0 111.587 -173.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -55.59 -39.69 71.06 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 128.28 2.632 . . . . 0.0 112.251 170.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.46 -38.32 87.07 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 120.606 -1.309 . . . . 0.0 113.4 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -62.9 -44.83 95.04 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 121.16 -0.962 . . . . 0.0 112.09 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.4 m -59.63 -38.8 82.33 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.78 -43.67 95.67 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.729 -1.232 . . . . 0.0 114.155 173.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.6 p -82.59 -53.21 12.2 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 O-C-N 120.209 -1.557 . . . . 0.0 114.178 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 t -101.94 63.48 0.92 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-O 124.341 2.02 . . . . 0.0 110.12 -168.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.1 mttp . . . . . 0 C--N 1.346 0.441 0 C-N-CA 126.516 1.926 . . . . 0.0 114.203 -173.64 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -88.58 104.66 0.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 CA-C-N 122.784 2.03 . . . . 0.0 109.613 -171.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.1 mt -61.57 -43.81 97.58 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 125.355 1.462 . . . . 0.0 112.595 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.27 -42.25 98.32 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.319 1.048 . . . . 0.0 112.989 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.42 -43.63 93.73 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 121.069 -1.019 . . . . 0.0 112.846 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.3 t -63.75 -44.06 94.59 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 121.279 -0.888 . . . . 0.0 113.231 175.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.53 -47.08 85.49 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.537 1.135 . . . . 0.0 112.167 175.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.28 92.04 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.34 1.056 . . . . 0.0 113.399 175.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.25 97.22 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 174.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -73.04 -46.55 51.24 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.642 -1.286 . . . . 0.0 114.374 169.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -68.4 -43.2 77.78 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.33 66.51 0.29 Allowed Glycine 0 C--N 1.344 0.996 0 O-C-N 120.212 -1.555 . . . . 0.0 113.793 -173.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.77 -6.09 17.11 Favored 'Trans proline' 0 C--O 1.234 0.279 0 CA-C-N 122.602 3.201 . . . . 0.0 112.234 -174.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -73.78 -22.53 59.8 Favored 'General case' 0 N--CA 1.439 -1.019 0 O-C-N 120.828 -1.17 . . . . 0.0 113.517 170.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 pp -63.58 -43.03 98.19 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 120.903 1.683 . . . . 0.0 112.345 173.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -62.53 -42.25 99.4 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 124.419 1.088 . . . . 0.0 111.939 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 m -59.94 -41.16 91.23 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 123.8 0.84 . . . . 0.0 112.896 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.13 -44.4 88.8 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 174.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.6 p -84.48 -54.5 8.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.457 -1.402 . . . . 0.0 114.133 -175.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -98.64 65.58 1.59 Allowed 'General case' 0 C--N 1.353 0.721 0 CA-C-O 123.663 1.696 . . . . 0.0 110.376 -165.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm . . . . . 0 N--CA 1.449 -0.493 0 C-N-CA 125.467 1.507 . . . . 0.0 114.51 -173.485 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 105.523 -2.029 . . . . 0.0 105.523 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -58.37 118.2 5.05 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 CA-C-N 123.01 2.111 . . . . 0.0 113.905 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.8 mt -67.95 -45.26 84.13 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 C-N-CA 123.868 0.867 . . . . 0.0 111.961 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.87 -43.68 98.13 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.245 1.018 . . . . 0.0 113.097 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.0 98.07 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 121.164 -0.96 . . . . 0.0 112.626 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.5 m -62.92 -44.31 96.42 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.13 0.972 . . . . 0.0 113.087 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.43 -44.56 94.2 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.026 1.33 . . . . 0.0 112.473 175.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.66 97.88 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.599 1.16 . . . . 0.0 113.284 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.73 98.92 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 120.727 -1.233 . . . . 0.0 113.648 170.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -40.36 96.46 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.764 -1.21 . . . . 0.0 113.096 175.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.88 -40.76 96.51 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 125.378 1.471 . . . . 0.0 111.691 168.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.82 149.19 8.16 Favored Glycine 0 C--N 1.34 0.762 0 C-N-CA 126.152 1.834 . . . . 0.0 110.858 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -70.17 -2.31 10.25 Favored 'Trans proline' 0 C--N 1.332 -0.294 0 C-N-CA 124.508 3.472 . . . . 0.0 115.634 -157.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -33.88 -52.27 0.43 Allowed 'General case' 0 C--N 1.348 0.526 0 C-N-CA 129.194 2.998 . . . . 0.0 116.093 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -62.04 -43.39 98.95 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 125.06 1.344 . . . . 0.0 114.312 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -66.42 -44.78 82.0 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.327 1.051 . . . . 0.0 111.61 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.0 m -60.03 -39.36 85.64 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.62 1.168 . . . . 0.0 113.375 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.45 -43.85 97.82 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.1 p -88.96 -57.68 4.06 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 O-C-N 120.633 -1.292 . . . . 0.0 113.979 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.261 11.7 t -95.14 61.61 2.45 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 125.165 2.412 . . . . 0.0 111.49 -163.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm . . . . . 0 N--CA 1.447 -0.592 0 O-C-N 120.095 -1.628 . . . . 0.0 112.602 -177.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -73.16 84.98 1.27 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.504 2.136 . . . . 0.0 110.836 168.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.4 mt -57.29 -40.58 74.76 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 125.553 1.541 . . . . 0.0 113.113 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.54 -41.69 94.99 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.896 -1.127 . . . . 0.0 113.137 177.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.69 89.87 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.948 -1.095 . . . . 0.0 112.498 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.0 m -62.3 -42.99 99.82 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.124 -0.985 . . . . 0.0 113.432 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.04 -46.71 86.26 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 124.659 1.183 . . . . 0.0 112.158 175.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.55 98.45 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 124.302 1.041 . . . . 0.0 113.281 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.29 98.75 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -44.42 74.81 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.646 -1.284 . . . . 0.0 113.071 173.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -67.4 -46.29 73.66 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.673 1.189 . . . . 0.0 114.04 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.67 79.22 0.09 OUTLIER Glycine 0 C--N 1.345 1.04 0 O-C-N 120.205 -1.56 . . . . 0.0 113.463 -171.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -69.94 -4.16 13.59 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 124.113 3.209 . . . . 0.0 112.119 -174.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -57.59 -37.78 73.79 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.167 1.787 . . . . 0.0 112.472 169.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.01 -43.24 99.27 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.788 -1.195 . . . . 0.0 113.838 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -64.53 -43.16 94.9 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.896 -1.127 . . . . 0.0 112.13 172.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.9 m -60.32 -39.69 87.95 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 125.17 1.388 . . . . 0.0 113.27 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.32 -43.33 99.08 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.79 -1.194 . . . . 0.0 113.992 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.3 p -84.08 -54.95 7.81 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 O-C-N 120.532 -1.355 . . . . 0.0 113.591 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.274 14.9 t -102.24 64.1 0.91 Allowed 'General case' 0 C--N 1.351 0.672 0 CA-C-O 124.824 2.25 . . . . 0.0 110.976 -166.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.2 mttp . . . . . 0 C--N 1.346 0.442 0 C-N-CA 126.0 1.72 . . . . 0.0 113.099 -179.091 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.448 -0.531 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -88.78 104.43 0.43 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 CA-C-N 122.61 1.968 . . . . 0.0 109.451 -173.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.6 mm -61.96 -43.53 97.66 Favored 'Isoleucine or valine' 0 C--N 1.347 0.471 0 C-N-CA 125.183 1.393 . . . . 0.0 113.152 -173.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.01 -42.94 99.41 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 120.986 -1.071 . . . . 0.0 112.711 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.47 96.4 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 121.047 -1.033 . . . . 0.0 112.776 174.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.7 t -63.18 -44.09 96.4 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 121.039 -1.038 . . . . 0.0 113.509 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.81 -45.62 91.78 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.825 -1.172 . . . . 0.0 112.064 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.6 -41.58 97.65 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.215 1.006 . . . . 0.0 113.068 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.07 -39.1 88.6 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -74.96 -49.25 20.68 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.287 -1.508 . . . . 0.0 114.125 171.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -75.65 -45.72 35.55 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.184 -1.572 . . . . 0.0 113.29 -173.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.64 52.03 0.7 Allowed Glycine 0 C--N 1.34 0.803 0 CA-C-O 116.615 -2.214 . . . . 0.0 115.711 -167.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -69.08 -8.86 24.76 Favored 'Trans proline' 0 C--N 1.345 0.394 1 CA-C-N 124.407 4.103 . . . . 0.0 110.136 174.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -48.19 -50.86 27.62 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 130.235 3.414 . . . . 0.0 111.584 165.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -67.52 -39.18 85.1 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 120.622 -1.299 . . . . 0.0 113.319 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.79 -43.67 98.39 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 121.198 -0.939 . . . . 0.0 112.102 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.8 p -59.67 -39.75 85.51 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.37 -42.77 98.89 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.931 -1.106 . . . . 0.0 113.879 174.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.7 p -85.32 -57.54 4.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 120.466 -1.396 . . . . 0.0 113.99 -177.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.6 t -94.69 55.24 1.88 Allowed 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.104 -1.623 . . . . 0.0 111.527 -166.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 126.811 2.044 . . . . 0.0 112.977 175.71 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -88.21 105.72 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.58 0 CA-C-N 122.618 1.971 . . . . 0.0 109.523 -171.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 mm -61.25 -43.09 95.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 125.419 1.488 . . . . 0.0 112.906 -174.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.21 -44.16 97.72 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 124.432 1.093 . . . . 0.0 112.48 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.86 95.71 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 121.01 -1.056 . . . . 0.0 112.69 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -60.88 -42.67 98.4 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.97 -1.081 . . . . 0.0 113.178 175.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 tp -67.58 -50.95 55.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.578 -1.326 . . . . 0.0 113.082 173.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.37 89.89 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.58 -15.58 59.15 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.625 -1.297 . . . . 0.0 112.998 -178.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -87.96 -48.67 7.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 121.1 -1.0 . . . . 0.0 112.077 173.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -68.83 -43.12 76.2 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.231 -1.543 . . . . 0.0 112.572 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.16 58.62 0.69 Allowed Glycine 0 C--N 1.342 0.886 0 CA-C-O 116.589 -2.228 . . . . 0.0 115.04 -171.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -58.21 -20.83 48.82 Favored 'Trans proline' 0 C--N 1.343 0.252 0 CA-C-N 124.171 3.986 . . . . 0.0 111.865 168.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -54.02 -44.39 70.91 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 127.613 2.365 . . . . 0.0 113.38 171.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -67.8 -39.94 83.93 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 120.183 -1.573 . . . . 0.0 113.008 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -62.82 -43.58 98.43 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 124.609 1.164 . . . . 0.0 111.955 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.6 t -59.6 -42.61 92.98 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.145 0.978 . . . . 0.0 112.881 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.28 -43.12 99.56 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.558 -1.339 . . . . 0.0 114.373 174.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 p -85.35 -56.01 6.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 120.364 -1.46 . . . . 0.0 114.565 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.254 9.6 t -98.28 62.77 1.51 Allowed 'General case' 0 C--N 1.351 0.671 0 CA-C-O 125.003 2.335 . . . . 0.0 111.273 -163.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm . . . . . 0 N--CA 1.447 -0.591 0 O-C-N 120.217 -1.552 . . . . 0.0 113.779 -174.403 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.12 84.04 1.74 Allowed 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.541 2.16 . . . . 0.0 111.383 175.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.0 mm -59.74 -45.49 94.5 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 124.911 1.284 . . . . 0.0 113.553 -172.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.05 -44.01 97.6 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 124.142 0.977 . . . . 0.0 112.875 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.88 97.28 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 121.05 -1.031 . . . . 0.0 112.485 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 t -63.66 -43.69 95.99 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.599 -1.313 . . . . 0.0 113.297 174.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.27 -46.02 90.67 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 124.993 1.317 . . . . 0.0 112.166 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.74 -37.51 79.16 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 124.431 1.092 . . . . 0.0 112.572 174.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.03 -11.24 60.27 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.21 -54.16 4.23 Favored 'General case' 0 C--N 1.355 0.804 0 O-C-N 120.132 -1.605 . . . . 0.0 109.49 163.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.87 -43.78 91.82 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -171.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.47 57.97 0.47 Allowed Glycine 0 C--N 1.344 0.983 0 CA-C-O 117.241 -1.866 . . . . 0.0 114.395 -175.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.81 -7.64 18.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 CA-C-N 124.012 3.906 . . . . 0.0 112.48 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -58.06 -41.28 83.02 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 126.56 1.944 . . . . 0.0 111.995 169.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -63.64 -40.81 97.81 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 120.816 -1.178 . . . . 0.0 113.605 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -63.05 -44.07 96.87 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 121.165 -0.96 . . . . 0.0 112.193 175.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -62.25 -41.07 98.11 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.43 1.092 . . . . 0.0 113.111 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.08 -44.18 96.46 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.268 -1.52 . . . . 0.0 114.069 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.18 -51.31 16.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 O-C-N 120.55 -1.344 . . . . 0.0 114.361 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -112.74 124.53 52.79 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 119.451 -2.031 . . . . 0.0 110.607 -169.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm . . . . . 0 N--CA 1.448 -0.525 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.917 -163.784 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 104.366 -2.457 . . . . 0.0 104.366 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -57.31 118.28 5.12 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.643 2.228 . . . . 0.0 114.352 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.09 -44.12 91.99 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 C-N-CA 124.342 1.057 . . . . 0.0 112.222 -176.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.61 -43.79 98.2 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.855 1.262 . . . . 0.0 112.415 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.98 98.53 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.247 -0.908 . . . . 0.0 112.664 174.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -62.75 -42.15 99.54 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.877 -1.139 . . . . 0.0 113.648 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.02 -47.29 74.9 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 121.127 -0.983 . . . . 0.0 112.542 174.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.36 95.29 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 124.785 1.234 . . . . 0.0 113.375 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.03 -34.87 73.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 175.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -83.41 -52.81 6.2 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 120.787 -1.195 . . . . 0.0 112.397 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -73.01 -46.08 54.12 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.297 -1.502 . . . . 0.0 113.024 -174.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.3 40.5 1.63 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-O 115.302 -2.943 . . . . 0.0 116.66 -166.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -69.44 -10.42 28.78 Favored 'Trans proline' 0 CA--C 1.515 -0.472 1 CA-C-N 126.451 5.126 . . . . 0.0 111.394 -175.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -56.82 -39.76 74.76 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 127.413 2.285 . . . . 0.0 112.116 171.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.28 -39.18 89.24 Favored 'General case' 0 C--N 1.356 0.878 0 O-C-N 120.831 -1.168 . . . . 0.0 113.199 175.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -62.61 -44.38 96.44 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 121.103 -0.998 . . . . 0.0 112.082 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.5 m -59.26 -38.77 80.9 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.3 -45.38 88.19 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.594 -1.317 . . . . 0.0 114.248 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.9 m -82.68 -51.81 14.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 O-C-N 120.269 -1.519 . . . . 0.0 114.569 -176.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.27 11.3 t -98.78 60.28 1.26 Allowed 'General case' 0 C--N 1.352 0.694 0 CA-C-O 124.643 2.163 . . . . 0.0 111.633 -164.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.8 mttp . . . . . 0 N--CA 1.453 -0.279 0 C-N-CA 126.388 1.875 . . . . 0.0 113.375 179.322 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 104.778 -2.304 . . . . 0.0 104.778 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -57.69 118.18 5.01 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.674 2.249 . . . . 0.0 114.47 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.91 -44.97 88.44 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 C-N-CA 124.379 1.072 . . . . 0.0 111.939 -177.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.8 -44.43 96.88 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 124.537 1.135 . . . . 0.0 112.611 -178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.06 98.27 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.113 -0.992 . . . . 0.0 112.755 174.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 t -62.15 -43.32 99.09 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.972 -1.08 . . . . 0.0 113.275 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.3 tp -67.0 -47.54 71.19 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 121.196 -0.94 . . . . 0.0 113.37 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.55 95.66 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.739 1.216 . . . . 0.0 113.266 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.82 -16.16 63.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -91.84 -54.87 3.68 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 120.769 -1.207 . . . . 0.0 111.058 171.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -67.43 -43.9 80.04 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.554 -1.341 . . . . 0.0 113.359 -176.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.54 52.59 0.59 Allowed Glycine 0 C--N 1.343 0.964 0 CA-C-O 116.138 -2.479 . . . . 0.0 115.888 -170.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -60.03 -22.14 68.08 Favored 'Trans proline' 0 C--N 1.346 0.408 1 CA-C-N 124.628 4.214 . . . . 0.0 111.426 173.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -37.45 -48.43 0.96 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 130.807 3.643 . . . . 0.0 113.881 163.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.0 -39.02 83.32 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.688 -1.258 . . . . 0.0 113.617 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -63.32 -43.87 96.57 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.967 -1.083 . . . . 0.0 111.804 177.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 m -59.7 -38.95 82.99 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.277 1.031 . . . . 0.0 113.459 175.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.11 -43.05 99.51 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.68 -1.262 . . . . 0.0 113.963 172.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.5 m -83.24 -54.89 8.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.674 0 O-C-N 120.535 -1.353 . . . . 0.0 114.379 -177.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.29 7.9 t -97.41 56.94 1.37 Allowed 'General case' 0 C--N 1.354 0.803 0 CA-C-O 125.32 2.486 . . . . 0.0 111.635 -164.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm . . . . . 0 N--CA 1.45 -0.442 0 C-N-CA 126.925 2.09 . . . . 0.0 113.055 179.052 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -87.35 106.36 0.63 Allowed 'Trans proline' 0 N--CA 1.459 -0.525 0 CA-C-N 122.968 2.096 . . . . 0.0 110.436 -155.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.1 mt -60.71 -43.16 94.48 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 C-N-CA 126.068 1.747 . . . . 0.0 112.376 -175.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.29 -43.69 98.45 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 124.505 1.122 . . . . 0.0 112.422 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.31 96.88 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.062 -1.024 . . . . 0.0 112.646 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 t -62.57 -42.01 99.29 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.641 -1.287 . . . . 0.0 113.791 174.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.91 -46.42 81.76 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.54 1.136 . . . . 0.0 112.061 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.29 90.5 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.042 1.337 . . . . 0.0 113.278 176.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.09 -33.67 72.42 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.485 -1.384 . . . . 0.0 114.624 174.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -87.41 -56.5 3.34 Favored 'General case' 0 C--N 1.347 0.463 0 O-C-N 120.879 -1.138 . . . . 0.0 112.709 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -78.41 -44.73 24.08 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 119.882 -1.761 . . . . 0.0 111.905 -175.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.53 19.67 36.08 Favored Glycine 0 C--N 1.34 0.805 1 CA-C-O 113.303 -4.054 . . . . 0.0 119.477 -167.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.75 -6.79 19.43 Favored 'Trans proline' 0 C--N 1.351 0.687 1 CA-C-N 130.089 6.945 . . . . 0.0 110.984 -174.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -53.93 -47.08 71.59 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 128.675 2.79 . . . . 0.0 111.089 165.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.71 -40.02 76.54 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.703 -1.248 . . . . 0.0 113.154 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.56 -42.97 99.62 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.968 -1.082 . . . . 0.0 111.806 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -60.93 -38.29 85.29 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.312 1.445 . . . . 0.0 113.26 174.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.55 -41.71 99.08 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.509 -1.369 . . . . 0.0 113.805 171.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.539 HG12 ' H ' ' A' ' 21' ' ' THR 0.294 9.6 p -86.18 -102.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 119.533 1.061 . . . . 0.0 113.248 178.011 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.539 ' H ' HG12 ' A' ' 20' ' ' VAL . 7.4 t -67.71 141.65 56.56 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 119.656 -1.902 . . . . 0.0 115.127 -170.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 mttm . . . . . 0 C--N 1.349 0.55 0 O-C-N 121.044 -1.035 . . . . 0.0 109.352 179.84 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -57.13 118.8 5.73 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 123.156 2.57 . . . . 0.0 115.366 -163.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.46 -44.52 94.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 C-N-CA 124.835 1.254 . . . . 0.0 112.041 -175.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.88 -44.5 96.67 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.551 1.14 . . . . 0.0 112.11 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.16 98.07 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 121.272 -0.892 . . . . 0.0 112.689 174.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -61.86 -42.61 99.26 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.74 -1.225 . . . . 0.0 113.593 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.24 -48.61 69.95 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.525 -1.359 . . . . 0.0 112.406 173.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.07 85.78 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.196 1.399 . . . . 0.0 113.741 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.3 -31.43 69.13 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 120.486 -1.384 . . . . 0.0 114.581 174.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -90.98 -55.88 3.39 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.719 -1.238 . . . . 0.0 111.864 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -72.99 -47.7 42.94 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.018 -1.676 . . . . 0.0 112.476 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.98 18.0 40.62 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-O 113.939 -3.701 . . . . 0.0 119.565 -169.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -70.24 -7.16 20.54 Favored 'Trans proline' 0 C--N 1.35 0.636 1 CA-C-N 129.746 6.773 . . . . 0.0 110.712 -175.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -57.57 -47.16 82.85 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 127.805 2.442 . . . . 0.0 111.123 169.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -76.01 -36.88 58.98 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 120.996 -1.065 . . . . 0.0 112.484 176.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -59.67 -40.03 86.43 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 121.013 -1.054 . . . . 0.0 112.197 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.6 t -56.86 -40.22 75.72 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 121.309 -0.869 . . . . 0.0 113.193 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.81 -48.8 70.5 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.1 p -73.61 -38.71 52.51 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -87.41 16.7 5.1 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.031 -2.293 . . . . 0.0 113.498 -162.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.2 mttm . . . . . 0 C--N 1.348 0.502 0 O-C-N 118.79 -2.444 . . . . 0.0 114.879 -174.257 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -89.04 103.35 0.39 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 CA-C-N 122.581 1.958 . . . . 0.0 108.193 -177.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.49 -44.21 98.67 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 C-N-CA 124.793 1.237 . . . . 0.0 112.546 -173.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.36 -43.98 97.54 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 121.078 -1.014 . . . . 0.0 112.741 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.84 97.0 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 121.094 -1.004 . . . . 0.0 112.644 174.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.6 m -62.91 -43.38 98.95 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.516 1.127 . . . . 0.0 113.47 176.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.55 -46.2 83.83 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.546 1.139 . . . . 0.0 112.021 173.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.49 87.21 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.772 1.229 . . . . 0.0 113.205 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.13 81.79 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -80.1 -49.93 11.04 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.238 -1.539 . . . . 0.0 113.635 170.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -72.39 -47.05 52.37 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.163 -1.586 . . . . 0.0 113.552 -172.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.81 42.75 1.32 Allowed Glycine 0 C--N 1.339 0.709 0 CA-C-O 115.372 -2.904 . . . . 0.0 116.36 -166.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -70.13 -10.19 27.7 Favored 'Trans proline' 0 CA--C 1.516 -0.388 1 CA-C-N 126.398 5.099 . . . . 0.0 111.37 -173.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -57.98 -38.06 75.36 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 127.838 2.455 . . . . 0.0 112.271 170.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.88 -38.73 89.55 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.227 -1.545 . . . . 0.0 113.055 176.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -64.01 -46.98 82.1 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 121.371 -0.83 . . . . 0.0 113.074 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.3 p -66.52 -37.45 85.07 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.47 -45.88 91.02 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.379 -1.45 . . . . 0.0 113.77 171.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.52 -49.68 29.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 O-C-N 120.381 -1.45 . . . . 0.0 114.224 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.8 t -112.27 118.41 35.19 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 123.751 1.739 . . . . 0.0 110.145 -174.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm . . . . . 0 N--CA 1.447 -0.593 0 CA-C-N 114.623 -1.172 . . . . 0.0 109.417 -169.398 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 N--CA 1.446 -0.665 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -88.98 105.55 0.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.607 0 CA-C-N 122.807 2.038 . . . . 0.0 109.329 -172.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.3 mm -61.51 -43.56 97.08 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 C-N-CA 125.26 1.424 . . . . 0.0 112.848 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.35 -44.17 97.63 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.595 1.158 . . . . 0.0 112.401 178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.95 97.61 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 121.107 -0.996 . . . . 0.0 112.554 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 t -62.06 -42.24 98.98 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.744 -1.223 . . . . 0.0 113.605 175.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.18 -47.32 74.33 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.994 -1.066 . . . . 0.0 112.464 173.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.4 92.63 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.822 1.249 . . . . 0.0 113.5 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.54 -35.54 76.27 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 174.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -80.03 -49.98 11.03 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.924 -1.11 . . . . 0.0 112.67 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -69.09 -42.88 75.56 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.458 -1.402 . . . . 0.0 113.03 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.16 42.09 1.47 Allowed Glycine 0 C--N 1.342 0.914 0 CA-C-O 115.29 -2.95 . . . . 0.0 116.989 -167.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -59.71 -22.01 65.66 Favored 'Trans proline' 0 C--N 1.346 0.404 1 CA-C-N 126.53 5.165 . . . . 0.0 112.084 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -55.29 -45.36 76.2 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.158 2.583 . . . . 0.0 113.063 172.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.97 -40.89 78.6 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.2 -1.562 . . . . 0.0 113.14 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -62.63 -43.02 99.86 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.517 1.127 . . . . 0.0 111.976 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -60.17 -40.99 91.91 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 124.82 1.248 . . . . 0.0 113.035 175.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.16 -42.24 99.4 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.625 -1.297 . . . . 0.0 114.19 173.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 p -82.17 -56.0 6.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 O-C-N 120.278 -1.514 . . . . 0.0 114.286 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.281 12.5 t -99.03 58.23 1.12 Allowed 'General case' 0 C--N 1.354 0.774 0 CA-C-O 125.079 2.371 . . . . 0.0 111.225 -166.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm . . . . . 0 N--CA 1.451 -0.422 0 C-N-CA 126.717 2.007 . . . . 0.0 113.208 -179.359 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -56.75 118.51 5.37 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.936 2.424 . . . . 0.0 115.196 -161.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 76.1 mt -65.47 -44.26 94.26 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 124.796 1.238 . . . . 0.0 111.711 -175.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.41 -43.79 97.97 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.326 1.05 . . . . 0.0 112.801 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.58 95.15 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 121.147 -0.97 . . . . 0.0 112.555 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.3 m -62.91 -44.72 95.32 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 124.432 1.093 . . . . 0.0 113.236 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.55 -44.21 94.84 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 125.125 1.37 . . . . 0.0 112.265 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.54 99.01 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.28 1.032 . . . . 0.0 113.162 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.05 97.63 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.759 -1.213 . . . . 0.0 113.619 171.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -40.36 97.11 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 124.526 1.131 . . . . 0.0 112.947 174.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -62.45 -40.92 98.18 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 124.934 1.294 . . . . 0.0 111.889 169.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.38 155.04 6.51 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 124.597 1.094 . . . . 0.0 111.402 166.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.77 -0.6 6.32 Favored 'Trans proline' 0 C--N 1.334 -0.199 0 C-N-CA 124.952 3.768 . . . . 0.0 114.311 -167.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -27.86 -66.23 0.07 Allowed 'General case' 0 C--N 1.345 0.382 0 C-N-CA 130.792 3.637 . . . . 0.0 115.745 174.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -62.15 -44.14 97.27 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.353 1.461 . . . . 0.0 114.551 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -63.99 -42.3 97.24 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.548 1.139 . . . . 0.0 111.501 177.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.7 m -61.64 -38.51 87.96 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 125.613 1.565 . . . . 0.0 112.924 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.6 mt -65.76 -50.71 63.77 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.526 -1.359 . . . . 0.0 113.932 170.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -83.55 -48.12 17.55 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -171.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.303 13.9 t -102.94 72.8 1.21 Allowed 'General case' 0 C--N 1.351 0.632 0 CA-C-O 124.96 2.314 . . . . 0.0 110.788 -165.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.9 mttm . . . . . 0 N--CA 1.449 -0.479 0 O-C-N 120.017 -1.677 . . . . 0.0 111.879 -176.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -86.2 106.28 0.8 Allowed 'Trans proline' 0 N--CA 1.462 -0.364 0 CA-C-N 124.295 2.57 . . . . 0.0 110.856 -153.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.08 -44.48 95.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 126.0 1.72 . . . . 0.0 113.264 -171.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.23 -45.0 95.29 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.156 -0.965 . . . . 0.0 112.413 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.18 95.29 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 121.16 -0.963 . . . . 0.0 112.456 174.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -61.71 -42.36 98.85 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.899 -1.126 . . . . 0.0 113.506 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.07 -48.85 69.64 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.565 -1.334 . . . . 0.0 112.226 173.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.02 -39.54 92.63 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.894 1.278 . . . . 0.0 113.63 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.34 -35.97 76.87 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -85.05 -50.34 7.53 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.892 -1.13 . . . . 0.0 112.322 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -69.54 -43.27 73.33 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.43 -1.419 . . . . 0.0 113.284 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.58 45.59 1.1 Allowed Glycine 0 C--N 1.342 0.887 0 CA-C-O 115.616 -2.769 . . . . 0.0 116.528 -167.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -67.57 -12.8 36.9 Favored 'Trans proline' 0 CA--C 1.518 -0.292 1 CA-C-N 126.135 4.967 . . . . 0.0 111.451 -178.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -39.42 82.5 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 125.417 1.487 . . . . 0.0 113.416 167.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 pp -67.29 -41.96 84.55 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.267 -1.521 . . . . 0.0 112.789 175.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -62.15 -41.56 98.41 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 121.003 -1.061 . . . . 0.0 112.227 174.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.8 t -58.98 -40.62 85.38 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.429 -0.795 . . . . 0.0 112.98 173.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.79 -48.76 73.29 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 120.556 -1.34 . . . . 0.0 114.478 173.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.0 m -76.12 -46.6 33.58 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.274 13.8 t -104.55 56.16 0.71 Allowed 'General case' 0 C--N 1.352 0.703 0 O-C-N 119.342 -2.099 . . . . 0.0 111.558 -168.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 mttm . . . . . 0 C--N 1.348 0.506 0 O-C-N 119.437 -2.039 . . . . 0.0 112.536 172.514 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.57 83.37 1.92 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 CA-C-N 123.137 2.156 . . . . 0.0 111.355 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.2 mt -57.04 -43.14 80.61 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 125.547 1.539 . . . . 0.0 113.029 -171.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.47 -42.12 98.29 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 124.52 1.128 . . . . 0.0 113.103 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.42 -44.3 87.81 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.036 -1.04 . . . . 0.0 112.468 176.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 m -61.84 -43.09 99.54 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 124.055 0.942 . . . . 0.0 113.311 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.35 -46.27 87.33 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.038 -1.038 . . . . 0.0 112.215 175.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.2 99.02 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 121.082 -1.011 . . . . 0.0 113.36 175.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.81 99.68 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.36 1.064 . . . . 0.0 113.513 173.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -66.63 -41.85 87.66 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.493 -1.38 . . . . 0.0 113.54 172.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -68.52 -47.42 67.01 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.573 1.149 . . . . 0.0 113.57 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.34 83.88 0.07 OUTLIER Glycine 0 C--N 1.345 1.065 0 O-C-N 120.341 -1.474 . . . . 0.0 113.028 -172.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.87 -4.08 14.05 Favored 'Trans proline' 0 CA--C 1.521 -0.132 0 C-N-CA 123.939 3.092 . . . . 0.0 112.555 -171.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.23 -35.77 70.1 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.566 1.946 . . . . 0.0 112.446 172.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 pp -60.61 -41.5 94.91 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.932 -1.105 . . . . 0.0 113.649 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -64.29 -43.52 94.5 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.871 -1.143 . . . . 0.0 112.454 174.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -61.08 -42.49 98.6 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 124.115 0.966 . . . . 0.0 113.008 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.55 -44.16 97.03 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.751 -1.218 . . . . 0.0 114.016 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -76.98 -51.36 18.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 120.271 -1.518 . . . . 0.0 113.902 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 t -105.9 106.92 17.66 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 123.964 1.84 . . . . 0.0 110.521 -173.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm . . . . . 0 N--CA 1.446 -0.673 0 CA-C-N 114.273 -1.331 . . . . 0.0 111.044 -170.186 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -87.23 102.54 0.54 Allowed 'Trans proline' 0 N--CA 1.459 -0.505 0 CA-C-N 123.417 2.256 . . . . 0.0 109.51 -173.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.7 mm -60.45 -41.67 88.35 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 C-N-CA 125.378 1.471 . . . . 0.0 113.541 -169.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.99 -42.02 97.61 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 124.549 1.14 . . . . 0.0 113.142 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.27 87.16 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 121.165 -0.959 . . . . 0.0 112.479 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.5 m -62.61 -43.26 99.24 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.103 0.961 . . . . 0.0 113.474 175.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.2 -46.36 87.43 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 124.262 1.025 . . . . 0.0 112.107 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.74 98.55 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 121.115 -0.991 . . . . 0.0 113.18 175.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.47 99.76 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 173.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -42.45 82.07 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.401 -1.437 . . . . 0.0 113.051 174.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -67.76 -47.07 70.24 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.523 -1.361 . . . . 0.0 113.693 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.42 82.7 0.08 OUTLIER Glycine 0 C--N 1.345 1.051 0 O-C-N 120.157 -1.589 . . . . 0.0 113.46 -171.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.49 -4.24 14.11 Favored 'Trans proline' 0 C--N 1.336 -0.113 0 C-N-CA 124.009 3.139 . . . . 0.0 112.41 -171.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -36.84 69.79 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.606 1.962 . . . . 0.0 112.454 172.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.38 -42.83 99.34 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 120.842 -1.161 . . . . 0.0 113.714 176.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -64.55 -42.3 95.78 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.822 -1.174 . . . . 0.0 112.444 173.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.4 t -60.11 -43.25 95.74 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 124.292 1.037 . . . . 0.0 112.864 177.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.65 -44.13 97.54 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 m -79.29 -54.05 12.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 O-C-N 120.181 -1.574 . . . . 0.0 113.448 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -104.75 60.73 0.7 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 123.979 1.847 . . . . 0.0 109.866 -170.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm . . . . . 0 N--CA 1.451 -0.404 0 C-N-CA 126.848 2.059 . . . . 0.0 113.668 -179.844 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 N--CA 1.443 -0.811 0 CA-C-O 121.33 0.586 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mp -143.18 162.48 42.76 Favored Pre-proline 0 N--CA 1.446 -0.629 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 -175.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -88.13 103.93 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.473 0 CA-C-N 123.313 2.219 . . . . 0.0 109.513 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.55 -41.99 89.84 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 C-N-CA 125.503 1.521 . . . . 0.0 113.081 -170.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.07 -42.25 98.14 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 124.632 1.173 . . . . 0.0 112.748 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.07 90.96 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 121.215 -0.928 . . . . 0.0 112.581 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.5 m -62.35 -43.32 99.09 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.51 -45.52 90.29 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.886 -1.134 . . . . 0.0 111.963 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.53 99.0 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.082 0.953 . . . . 0.0 112.901 174.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.61 99.09 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.626 -1.296 . . . . 0.0 114.407 173.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -70.39 -45.45 65.97 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.401 -1.437 . . . . 0.0 113.74 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -83.15 -44.32 15.21 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.195 -1.566 . . . . 0.0 113.164 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.14 53.49 0.63 Allowed Glycine 0 C--N 1.34 0.801 0 CA-C-O 116.522 -2.265 . . . . 0.0 116.212 -162.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -68.45 -6.88 18.71 Favored 'Trans proline' 0 N--CA 1.472 0.21 1 CA-C-N 124.301 4.051 . . . . 0.0 110.906 177.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -54.58 -43.84 72.47 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 129.336 3.054 . . . . 0.0 111.966 166.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 pp -67.36 -41.77 84.54 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 120.559 -1.338 . . . . 0.0 113.125 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -62.37 -43.13 99.53 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 121.147 -0.971 . . . . 0.0 111.881 174.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.6 m -59.41 -40.53 86.95 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 124.791 1.236 . . . . 0.0 113.115 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.84 -43.36 99.01 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.7 -1.25 . . . . 0.0 114.186 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -85.47 -56.22 5.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 O-C-N 120.529 -1.357 . . . . 0.0 114.186 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 t -96.71 56.13 1.46 Allowed 'General case' 0 C--N 1.352 0.698 0 CA-C-O 124.363 2.03 . . . . 0.0 111.311 -165.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -60.98 -36.3 79.07 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.45 1.9 . . . . 0.0 114.046 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -66.27 -42.11 88.91 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 121.001 -1.062 . . . . 0.0 113.815 172.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 CA--C 1.507 -0.692 0 O-C-N 121.392 -0.818 . . . . 0.0 109.368 -171.443 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.6 p90 . . . . . 0 N--CA 1.442 -0.852 0 CA-C-O 121.37 0.605 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp -122.78 143.55 40.52 Favored Pre-proline 0 N--CA 1.449 -0.505 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 176.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -56.46 117.96 4.71 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.742 2.295 . . . . 0.0 114.236 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.99 -43.88 92.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 C-N-CA 124.693 1.197 . . . . 0.0 111.749 -175.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.06 -43.59 98.66 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.809 1.243 . . . . 0.0 112.384 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.65 95.89 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 121.092 -1.005 . . . . 0.0 112.847 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.8 t -61.6 -42.8 99.38 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.957 -1.089 . . . . 0.0 113.217 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -67.77 -51.85 44.13 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 120.811 -1.181 . . . . 0.0 112.341 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.49 -42.81 91.74 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -175.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.92 -16.46 60.02 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.267 -1.521 . . . . 0.0 113.046 -178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -90.82 -52.63 4.77 Favored 'General case' 0 N--CA 1.447 -0.625 0 O-C-N 121.021 -1.049 . . . . 0.0 111.991 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -73.97 -45.12 52.14 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.045 -1.66 . . . . 0.0 112.754 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.81 42.17 1.45 Allowed Glycine 0 C--N 1.343 0.929 0 CA-C-O 115.424 -2.876 . . . . 0.0 116.805 -165.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -68.01 -8.85 23.86 Favored 'Trans proline' 0 C--N 1.345 0.393 1 CA-C-N 126.308 5.054 . . . . 0.0 111.965 -175.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -56.94 -42.3 79.79 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 127.218 2.207 . . . . 0.0 112.079 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.72 -41.02 92.77 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 120.72 -1.238 . . . . 0.0 113.142 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -62.84 -43.63 98.27 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 121.062 -1.024 . . . . 0.0 112.035 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -59.56 -40.22 86.6 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 123.961 0.905 . . . . 0.0 113.383 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.23 -44.53 94.99 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.598 -1.314 . . . . 0.0 114.092 173.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.96 -45.49 22.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 120.159 -1.588 . . . . 0.0 114.908 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -91.41 13.4 17.64 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -152.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -33.43 -21.5 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.546 1 N-CA-C 122.104 4.113 . . . . 0.0 122.104 -170.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -101.16 -1.09 34.81 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 120.251 -1.531 . . . . 0.0 110.635 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 CA--C 1.512 -0.489 0 C-N-CA 125.179 1.391 . . . . 0.0 109.879 177.067 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.8 p90 . . . . . 0 N--CA 1.443 -0.823 0 CA-C-O 121.365 0.603 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -132.75 144.56 53.41 Favored Pre-proline 0 N--CA 1.448 -0.567 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -57.43 117.31 3.99 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 CA-C-N 123.505 2.288 . . . . 0.0 114.111 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.08 -45.73 82.86 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 C-N-CA 124.0 0.92 . . . . 0.0 111.87 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.19 -44.42 96.64 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.432 1.093 . . . . 0.0 112.654 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.54 96.7 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 121.137 -0.977 . . . . 0.0 112.715 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -62.61 -43.07 99.73 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 121.016 -1.052 . . . . 0.0 113.249 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.16 -49.34 65.1 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 124.065 0.946 . . . . 0.0 112.864 175.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.73 91.23 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 124.688 1.195 . . . . 0.0 113.73 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.36 -16.73 63.01 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -92.59 -54.19 3.88 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.804 -1.185 . . . . 0.0 110.745 170.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -66.65 -43.65 84.03 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.682 1.193 . . . . 0.0 114.177 -174.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.72 54.64 0.52 Allowed Glycine 0 C--N 1.345 1.048 0 CA-C-O 117.086 -1.952 . . . . 0.0 114.898 -173.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -67.88 -8.01 21.29 Favored 'Trans proline' 0 CA--C 1.517 -0.355 0 CA-C-N 123.934 3.867 . . . . 0.0 112.728 -172.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -58.68 -38.73 78.84 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 127.171 2.189 . . . . 0.0 112.0 175.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.02 -39.0 90.77 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -177.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -62.4 -45.45 93.08 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 121.086 -1.008 . . . . 0.0 112.191 178.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 m -61.65 -39.87 92.9 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.475 1.11 . . . . 0.0 113.24 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.43 -43.5 97.27 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.858 -1.151 . . . . 0.0 113.93 174.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -85.18 -56.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 O-C-N 120.512 -1.368 . . . . 0.0 114.068 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.262 14.2 t -101.34 58.54 0.87 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-O 125.016 2.341 . . . . 0.0 111.082 -164.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -64.11 -22.04 66.78 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 126.571 1.948 . . . . 0.0 114.328 -174.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -40.27 91.2 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 121.074 -1.016 . . . . 0.0 111.927 171.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 CA--C 1.507 -0.706 0 O-C-N 121.008 -1.058 . . . . 0.0 109.588 -170.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 N--CA 1.442 -0.827 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -143.72 145.83 32.55 Favored Pre-proline 0 N--CA 1.451 -0.38 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 -174.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -57.73 118.69 5.6 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.59 2.193 . . . . 0.0 114.325 177.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.3 mt -66.1 -44.28 91.92 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 C-N-CA 124.519 1.128 . . . . 0.0 111.781 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.34 -44.18 97.61 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.759 1.224 . . . . 0.0 112.591 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.96 98.62 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.082 -1.011 . . . . 0.0 112.748 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 t -62.27 -42.89 99.74 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.926 -1.109 . . . . 0.0 113.357 176.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.81 -48.44 68.96 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.158 0.983 . . . . 0.0 112.652 174.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.13 91.41 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 124.932 1.293 . . . . 0.0 113.491 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.44 -15.83 63.36 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -94.26 -57.82 2.4 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.758 -1.214 . . . . 0.0 110.844 172.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -68.39 -44.02 76.03 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.472 -1.393 . . . . 0.0 113.412 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.16 36.48 2.25 Favored Glycine 0 C--N 1.345 1.032 0 CA-C-O 114.497 -3.39 . . . . 0.0 117.838 -167.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.41 -12.21 33.04 Favored 'Trans proline' 0 C--N 1.346 0.401 1 CA-C-N 127.772 5.786 . . . . 0.0 111.587 -173.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -55.59 -39.69 71.06 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 128.28 2.632 . . . . 0.0 112.251 170.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.46 -38.32 87.07 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 120.606 -1.309 . . . . 0.0 113.4 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -62.9 -44.83 95.04 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 121.16 -0.962 . . . . 0.0 112.09 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.4 m -59.63 -38.8 82.33 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.78 -43.67 95.67 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.729 -1.232 . . . . 0.0 114.155 173.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.6 p -82.59 -53.21 12.2 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 O-C-N 120.209 -1.557 . . . . 0.0 114.178 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 t -101.94 63.48 0.92 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-O 124.341 2.02 . . . . 0.0 110.12 -168.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -61.03 -32.78 72.39 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 126.516 1.926 . . . . 0.0 114.203 -173.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.27 101.33 5.95 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 168.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.238 0.476 0 O-C-N 121.155 -0.966 . . . . 0.0 113.144 -175.93 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 . . . . . 0 N--CA 1.444 -0.766 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp -143.4 162.12 43.92 Favored Pre-proline 0 N--CA 1.449 -0.477 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -172.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -88.58 104.66 0.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 CA-C-N 122.784 2.03 . . . . 0.0 109.613 -171.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.1 mt -61.57 -43.81 97.58 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 125.355 1.462 . . . . 0.0 112.595 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.27 -42.25 98.32 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.319 1.048 . . . . 0.0 112.989 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.42 -43.63 93.73 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 121.069 -1.019 . . . . 0.0 112.846 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.3 t -63.75 -44.06 94.59 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 121.279 -0.888 . . . . 0.0 113.231 175.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.53 -47.08 85.49 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.537 1.135 . . . . 0.0 112.167 175.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.28 92.04 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.34 1.056 . . . . 0.0 113.399 175.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.25 97.22 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 174.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -73.04 -46.55 51.24 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.642 -1.286 . . . . 0.0 114.374 169.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -68.4 -43.2 77.78 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.33 66.51 0.29 Allowed Glycine 0 C--N 1.344 0.996 0 O-C-N 120.212 -1.555 . . . . 0.0 113.793 -173.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.77 -6.09 17.11 Favored 'Trans proline' 0 C--O 1.234 0.279 0 CA-C-N 122.602 3.201 . . . . 0.0 112.234 -174.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -73.78 -22.53 59.8 Favored 'General case' 0 N--CA 1.439 -1.019 0 O-C-N 120.828 -1.17 . . . . 0.0 113.517 170.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 pp -63.58 -43.03 98.19 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 120.903 1.683 . . . . 0.0 112.345 173.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -62.53 -42.25 99.4 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 124.419 1.088 . . . . 0.0 111.939 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 m -59.94 -41.16 91.23 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 123.8 0.84 . . . . 0.0 112.896 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.13 -44.4 88.8 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 174.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.6 p -84.48 -54.5 8.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.457 -1.402 . . . . 0.0 114.133 -175.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -98.64 65.58 1.59 Allowed 'General case' 0 C--N 1.353 0.721 0 CA-C-O 123.663 1.696 . . . . 0.0 110.376 -165.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -74.74 -15.45 60.77 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.467 1.507 . . . . 0.0 114.51 -173.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.1 129.81 50.96 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 167.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.3 t . . . . . 0 CA--C 1.508 -0.649 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 178.27 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 . . . . . 0 N--CA 1.443 -0.808 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -144.26 146.89 35.05 Favored Pre-proline 0 N--CA 1.449 -0.496 0 N-CA-C 105.523 -2.029 . . . . 0.0 105.523 -174.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -58.37 118.2 5.05 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 CA-C-N 123.01 2.111 . . . . 0.0 113.905 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.8 mt -67.95 -45.26 84.13 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 C-N-CA 123.868 0.867 . . . . 0.0 111.961 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.87 -43.68 98.13 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.245 1.018 . . . . 0.0 113.097 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.0 98.07 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 121.164 -0.96 . . . . 0.0 112.626 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.5 m -62.92 -44.31 96.42 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.13 0.972 . . . . 0.0 113.087 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.43 -44.56 94.2 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.026 1.33 . . . . 0.0 112.473 175.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.66 97.88 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.599 1.16 . . . . 0.0 113.284 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.73 98.92 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 120.727 -1.233 . . . . 0.0 113.648 170.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -40.36 96.46 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.764 -1.21 . . . . 0.0 113.096 175.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.88 -40.76 96.51 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 125.378 1.471 . . . . 0.0 111.691 168.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.82 149.19 8.16 Favored Glycine 0 C--N 1.34 0.762 0 C-N-CA 126.152 1.834 . . . . 0.0 110.858 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -70.17 -2.31 10.25 Favored 'Trans proline' 0 C--N 1.332 -0.294 0 C-N-CA 124.508 3.472 . . . . 0.0 115.634 -157.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -33.88 -52.27 0.43 Allowed 'General case' 0 C--N 1.348 0.526 0 C-N-CA 129.194 2.998 . . . . 0.0 116.093 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -62.04 -43.39 98.95 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 125.06 1.344 . . . . 0.0 114.312 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -66.42 -44.78 82.0 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.327 1.051 . . . . 0.0 111.61 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.0 m -60.03 -39.36 85.64 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.62 1.168 . . . . 0.0 113.375 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.45 -43.85 97.82 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.1 p -88.96 -57.68 4.06 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 O-C-N 120.633 -1.292 . . . . 0.0 113.979 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.261 11.7 t -95.14 61.61 2.45 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 125.165 2.412 . . . . 0.0 111.49 -163.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -73.61 -13.72 61.06 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 120.095 -1.628 . . . . 0.0 112.602 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -79.47 -21.29 45.62 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.948 -1.095 . . . . 0.0 113.097 173.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.35 0.611 0 O-C-N 120.668 -1.27 . . . . 0.0 109.998 179.366 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 . . . . . 0 N--CA 1.443 -0.784 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mp -143.66 157.1 59.3 Favored Pre-proline 0 N--CA 1.45 -0.446 0 O-C-N 120.424 -1.422 . . . . 0.0 107.55 -172.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -73.16 84.98 1.27 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.504 2.136 . . . . 0.0 110.836 168.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.4 mt -57.29 -40.58 74.76 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 125.553 1.541 . . . . 0.0 113.113 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.54 -41.69 94.99 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.896 -1.127 . . . . 0.0 113.137 177.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.69 89.87 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.948 -1.095 . . . . 0.0 112.498 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.0 m -62.3 -42.99 99.82 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.124 -0.985 . . . . 0.0 113.432 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.04 -46.71 86.26 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 124.659 1.183 . . . . 0.0 112.158 175.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.55 98.45 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 124.302 1.041 . . . . 0.0 113.281 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.29 98.75 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -44.42 74.81 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.646 -1.284 . . . . 0.0 113.071 173.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -67.4 -46.29 73.66 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.673 1.189 . . . . 0.0 114.04 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.67 79.22 0.09 OUTLIER Glycine 0 C--N 1.345 1.04 0 O-C-N 120.205 -1.56 . . . . 0.0 113.463 -171.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -69.94 -4.16 13.59 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 124.113 3.209 . . . . 0.0 112.119 -174.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -57.59 -37.78 73.79 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.167 1.787 . . . . 0.0 112.472 169.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.01 -43.24 99.27 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.788 -1.195 . . . . 0.0 113.838 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -64.53 -43.16 94.9 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.896 -1.127 . . . . 0.0 112.13 172.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.9 m -60.32 -39.69 87.95 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 125.17 1.388 . . . . 0.0 113.27 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.32 -43.33 99.08 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.79 -1.194 . . . . 0.0 113.992 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.3 p -84.08 -54.95 7.81 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 O-C-N 120.532 -1.355 . . . . 0.0 113.591 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.274 14.9 t -102.24 64.1 0.91 Allowed 'General case' 0 C--N 1.351 0.672 0 CA-C-O 124.824 2.25 . . . . 0.0 110.976 -166.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -61.57 -41.66 97.72 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 126.0 1.72 . . . . 0.0 113.099 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -117.84 102.04 8.78 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 169.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.4 t . . . . . 0 C--O 1.239 0.503 0 O-C-N 121.656 -0.653 . . . . 0.0 112.043 -178.844 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 . . . . . 0 N--CA 1.443 -0.809 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp -143.91 160.8 48.65 Favored Pre-proline 0 N--CA 1.448 -0.531 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -88.78 104.43 0.43 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 CA-C-N 122.61 1.968 . . . . 0.0 109.451 -173.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.6 mm -61.96 -43.53 97.66 Favored 'Isoleucine or valine' 0 C--N 1.347 0.471 0 C-N-CA 125.183 1.393 . . . . 0.0 113.152 -173.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.01 -42.94 99.41 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 120.986 -1.071 . . . . 0.0 112.711 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.47 96.4 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 121.047 -1.033 . . . . 0.0 112.776 174.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.7 t -63.18 -44.09 96.4 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 121.039 -1.038 . . . . 0.0 113.509 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.81 -45.62 91.78 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.825 -1.172 . . . . 0.0 112.064 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.6 -41.58 97.65 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.215 1.006 . . . . 0.0 113.068 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.07 -39.1 88.6 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -74.96 -49.25 20.68 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.287 -1.508 . . . . 0.0 114.125 171.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -75.65 -45.72 35.55 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.184 -1.572 . . . . 0.0 113.29 -173.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.64 52.03 0.7 Allowed Glycine 0 C--N 1.34 0.803 0 CA-C-O 116.615 -2.214 . . . . 0.0 115.711 -167.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -69.08 -8.86 24.76 Favored 'Trans proline' 0 C--N 1.345 0.394 1 CA-C-N 124.407 4.103 . . . . 0.0 110.136 174.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -48.19 -50.86 27.62 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 130.235 3.414 . . . . 0.0 111.584 165.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -67.52 -39.18 85.1 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 120.622 -1.299 . . . . 0.0 113.319 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.79 -43.67 98.39 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 121.198 -0.939 . . . . 0.0 112.102 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.8 p -59.67 -39.75 85.51 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.37 -42.77 98.89 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.931 -1.106 . . . . 0.0 113.879 174.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.7 p -85.32 -57.54 4.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 120.466 -1.396 . . . . 0.0 113.99 -177.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.6 t -94.69 55.24 1.88 Allowed 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.104 -1.623 . . . . 0.0 111.527 -166.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -61.66 -39.68 92.24 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 126.811 2.044 . . . . 0.0 112.977 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -143.95 132.22 21.95 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 172.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 C--N 1.35 0.63 0 O-C-N 121.375 -0.828 . . . . 0.0 111.364 179.448 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 . . . . . 0 N--CA 1.443 -0.806 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp -143.21 161.97 45.24 Favored Pre-proline 0 N--CA 1.448 -0.538 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 -173.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -88.21 105.72 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.58 0 CA-C-N 122.618 1.971 . . . . 0.0 109.523 -171.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 mm -61.25 -43.09 95.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 125.419 1.488 . . . . 0.0 112.906 -174.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.21 -44.16 97.72 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 124.432 1.093 . . . . 0.0 112.48 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.86 95.71 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 121.01 -1.056 . . . . 0.0 112.69 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -60.88 -42.67 98.4 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.97 -1.081 . . . . 0.0 113.178 175.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 tp -67.58 -50.95 55.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.578 -1.326 . . . . 0.0 113.082 173.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.37 89.89 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.58 -15.58 59.15 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.625 -1.297 . . . . 0.0 112.998 -178.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -87.96 -48.67 7.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 121.1 -1.0 . . . . 0.0 112.077 173.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -68.83 -43.12 76.2 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.231 -1.543 . . . . 0.0 112.572 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.16 58.62 0.69 Allowed Glycine 0 C--N 1.342 0.886 0 CA-C-O 116.589 -2.228 . . . . 0.0 115.04 -171.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -58.21 -20.83 48.82 Favored 'Trans proline' 0 C--N 1.343 0.252 0 CA-C-N 124.171 3.986 . . . . 0.0 111.865 168.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -54.02 -44.39 70.91 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 127.613 2.365 . . . . 0.0 113.38 171.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -67.8 -39.94 83.93 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 120.183 -1.573 . . . . 0.0 113.008 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -62.82 -43.58 98.43 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 124.609 1.164 . . . . 0.0 111.955 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.6 t -59.6 -42.61 92.98 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.145 0.978 . . . . 0.0 112.881 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.28 -43.12 99.56 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.558 -1.339 . . . . 0.0 114.373 174.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 p -85.35 -56.01 6.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 120.364 -1.46 . . . . 0.0 114.565 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.254 9.6 t -98.28 62.77 1.51 Allowed 'General case' 0 C--N 1.351 0.671 0 CA-C-O 125.003 2.335 . . . . 0.0 111.273 -163.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -73.91 -13.35 60.89 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 120.217 -1.552 . . . . 0.0 113.779 -174.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -116.71 13.79 15.22 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.948 -1.095 . . . . 0.0 112.057 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 CA--C 1.51 -0.565 0 O-C-N 119.919 -1.738 . . . . 0.0 110.651 177.815 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 49.9 p90 . . . . . 0 N--CA 1.441 -0.894 0 CA-C-O 121.41 0.624 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -143.81 156.36 59.18 Favored Pre-proline 0 N--CA 1.447 -0.604 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.12 84.04 1.74 Allowed 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.541 2.16 . . . . 0.0 111.383 175.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.0 mm -59.74 -45.49 94.5 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 124.911 1.284 . . . . 0.0 113.553 -172.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.05 -44.01 97.6 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 124.142 0.977 . . . . 0.0 112.875 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.88 97.28 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 121.05 -1.031 . . . . 0.0 112.485 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 t -63.66 -43.69 95.99 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.599 -1.313 . . . . 0.0 113.297 174.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.27 -46.02 90.67 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 124.993 1.317 . . . . 0.0 112.166 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.74 -37.51 79.16 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 124.431 1.092 . . . . 0.0 112.572 174.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.03 -11.24 60.27 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.21 -54.16 4.23 Favored 'General case' 0 C--N 1.355 0.804 0 O-C-N 120.132 -1.605 . . . . 0.0 109.49 163.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.87 -43.78 91.82 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -171.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.47 57.97 0.47 Allowed Glycine 0 C--N 1.344 0.983 0 CA-C-O 117.241 -1.866 . . . . 0.0 114.395 -175.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.81 -7.64 18.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 CA-C-N 124.012 3.906 . . . . 0.0 112.48 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -58.06 -41.28 83.02 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 126.56 1.944 . . . . 0.0 111.995 169.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -63.64 -40.81 97.81 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 120.816 -1.178 . . . . 0.0 113.605 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -63.05 -44.07 96.87 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 121.165 -0.96 . . . . 0.0 112.193 175.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -62.25 -41.07 98.11 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.43 1.092 . . . . 0.0 113.111 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.08 -44.18 96.46 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.268 -1.52 . . . . 0.0 114.069 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.18 -51.31 16.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 O-C-N 120.55 -1.344 . . . . 0.0 114.361 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -112.74 124.53 52.79 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 119.451 -2.031 . . . . 0.0 110.607 -169.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -147.7 0.29 0.66 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.917 -163.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.283 45.7 tttp 42.74 48.65 4.89 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 126.627 1.971 . . . . 0.0 115.34 -167.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 CA--C 1.513 -0.444 0 O-C-N 119.983 -1.698 . . . . 0.0 111.453 -177.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 N--CA 1.442 -0.834 0 CA-C-O 121.393 0.616 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -143.71 148.42 42.91 Favored Pre-proline 0 N--CA 1.447 -0.603 0 N-CA-C 104.366 -2.457 . . . . 0.0 104.366 -178.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -57.31 118.28 5.12 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.643 2.228 . . . . 0.0 114.352 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.09 -44.12 91.99 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 C-N-CA 124.342 1.057 . . . . 0.0 112.222 -176.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.61 -43.79 98.2 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.855 1.262 . . . . 0.0 112.415 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.98 98.53 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.247 -0.908 . . . . 0.0 112.664 174.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -62.75 -42.15 99.54 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.877 -1.139 . . . . 0.0 113.648 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.02 -47.29 74.9 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 121.127 -0.983 . . . . 0.0 112.542 174.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.36 95.29 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 124.785 1.234 . . . . 0.0 113.375 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.03 -34.87 73.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 175.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -83.41 -52.81 6.2 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 120.787 -1.195 . . . . 0.0 112.397 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -73.01 -46.08 54.12 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.297 -1.502 . . . . 0.0 113.024 -174.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.3 40.5 1.63 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-O 115.302 -2.943 . . . . 0.0 116.66 -166.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -69.44 -10.42 28.78 Favored 'Trans proline' 0 CA--C 1.515 -0.472 1 CA-C-N 126.451 5.126 . . . . 0.0 111.394 -175.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -56.82 -39.76 74.76 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 127.413 2.285 . . . . 0.0 112.116 171.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.28 -39.18 89.24 Favored 'General case' 0 C--N 1.356 0.878 0 O-C-N 120.831 -1.168 . . . . 0.0 113.199 175.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -62.61 -44.38 96.44 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 121.103 -0.998 . . . . 0.0 112.082 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.5 m -59.26 -38.77 80.9 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.3 -45.38 88.19 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.594 -1.317 . . . . 0.0 114.248 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.9 m -82.68 -51.81 14.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 O-C-N 120.269 -1.519 . . . . 0.0 114.569 -176.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.27 11.3 t -98.78 60.28 1.26 Allowed 'General case' 0 C--N 1.352 0.694 0 CA-C-O 124.643 2.163 . . . . 0.0 111.633 -164.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -59.84 -30.92 69.28 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 126.388 1.875 . . . . 0.0 113.375 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -95.01 -3.51 48.25 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.354 1.062 . . . . 0.0 112.352 -173.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.35 0.598 0 O-C-N 119.917 -1.74 . . . . 0.0 111.215 178.844 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 N--CA 1.443 -0.807 0 CA-C-O 121.27 0.557 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -143.77 147.05 37.23 Favored Pre-proline 0 N--CA 1.447 -0.585 0 N-CA-C 104.778 -2.304 . . . . 0.0 104.778 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -57.69 118.18 5.01 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.674 2.249 . . . . 0.0 114.47 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.91 -44.97 88.44 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 C-N-CA 124.379 1.072 . . . . 0.0 111.939 -177.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.8 -44.43 96.88 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 124.537 1.135 . . . . 0.0 112.611 -178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.06 98.27 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.113 -0.992 . . . . 0.0 112.755 174.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 t -62.15 -43.32 99.09 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.972 -1.08 . . . . 0.0 113.275 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.3 tp -67.0 -47.54 71.19 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 121.196 -0.94 . . . . 0.0 113.37 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.55 95.66 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.739 1.216 . . . . 0.0 113.266 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.82 -16.16 63.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -91.84 -54.87 3.68 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 120.769 -1.207 . . . . 0.0 111.058 171.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -67.43 -43.9 80.04 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.554 -1.341 . . . . 0.0 113.359 -176.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.54 52.59 0.59 Allowed Glycine 0 C--N 1.343 0.964 0 CA-C-O 116.138 -2.479 . . . . 0.0 115.888 -170.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -60.03 -22.14 68.08 Favored 'Trans proline' 0 C--N 1.346 0.408 1 CA-C-N 124.628 4.214 . . . . 0.0 111.426 173.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -37.45 -48.43 0.96 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 130.807 3.643 . . . . 0.0 113.881 163.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.0 -39.02 83.32 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.688 -1.258 . . . . 0.0 113.617 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -63.32 -43.87 96.57 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.967 -1.083 . . . . 0.0 111.804 177.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 m -59.7 -38.95 82.99 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.277 1.031 . . . . 0.0 113.459 175.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.11 -43.05 99.51 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.68 -1.262 . . . . 0.0 113.963 172.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.5 m -83.24 -54.89 8.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.674 0 O-C-N 120.535 -1.353 . . . . 0.0 114.379 -177.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.29 7.9 t -97.41 56.94 1.37 Allowed 'General case' 0 C--N 1.354 0.803 0 CA-C-O 125.32 2.486 . . . . 0.0 111.635 -164.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -62.74 -38.24 89.75 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.925 2.09 . . . . 0.0 113.055 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.25 106.58 14.51 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 104.261 -2.496 . . . . 0.0 104.261 165.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 t . . . . . 0 C--N 1.345 0.405 0 CA-C-O 121.915 0.864 . . . . 0.0 112.106 -177.486 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 . . . . . 0 N--CA 1.445 -0.72 0 CA-C-O 122.074 0.94 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.7 mp -121.07 154.48 58.19 Favored Pre-proline 0 N--CA 1.448 -0.545 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -87.35 106.36 0.63 Allowed 'Trans proline' 0 N--CA 1.459 -0.525 0 CA-C-N 122.968 2.096 . . . . 0.0 110.436 -155.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.1 mt -60.71 -43.16 94.48 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 C-N-CA 126.068 1.747 . . . . 0.0 112.376 -175.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.29 -43.69 98.45 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 124.505 1.122 . . . . 0.0 112.422 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.31 96.88 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.062 -1.024 . . . . 0.0 112.646 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 t -62.57 -42.01 99.29 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.641 -1.287 . . . . 0.0 113.791 174.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.91 -46.42 81.76 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.54 1.136 . . . . 0.0 112.061 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.29 90.5 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.042 1.337 . . . . 0.0 113.278 176.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.09 -33.67 72.42 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.485 -1.384 . . . . 0.0 114.624 174.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -87.41 -56.5 3.34 Favored 'General case' 0 C--N 1.347 0.463 0 O-C-N 120.879 -1.138 . . . . 0.0 112.709 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -78.41 -44.73 24.08 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 119.882 -1.761 . . . . 0.0 111.905 -175.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.53 19.67 36.08 Favored Glycine 0 C--N 1.34 0.805 1 CA-C-O 113.303 -4.054 . . . . 0.0 119.477 -167.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.75 -6.79 19.43 Favored 'Trans proline' 0 C--N 1.351 0.687 1 CA-C-N 130.089 6.945 . . . . 0.0 110.984 -174.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -53.93 -47.08 71.59 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 128.675 2.79 . . . . 0.0 111.089 165.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.71 -40.02 76.54 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.703 -1.248 . . . . 0.0 113.154 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.56 -42.97 99.62 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.968 -1.082 . . . . 0.0 111.806 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -60.93 -38.29 85.29 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.312 1.445 . . . . 0.0 113.26 174.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.55 -41.71 99.08 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.509 -1.369 . . . . 0.0 113.805 171.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.539 HG12 ' H ' ' A' ' 21' ' ' THR 0.294 9.6 p -86.18 -102.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 119.533 1.061 . . . . 0.0 113.248 178.011 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.539 ' H ' HG12 ' A' ' 20' ' ' VAL . 7.4 t -67.71 141.65 56.56 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 119.656 -1.902 . . . . 0.0 115.127 -170.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -147.61 11.02 0.97 Allowed 'General case' 0 C--N 1.349 0.55 0 O-C-N 121.044 -1.035 . . . . 0.0 109.352 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.279 0.0 OUTLIER 51.68 49.73 20.22 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 123.665 1.698 . . . . 0.0 114.22 -169.765 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.238 0.452 0 O-C-N 119.68 -1.888 . . . . 0.0 112.402 175.534 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 . . . . . 0 N--CA 1.445 -0.697 0 CA-C-O 121.923 0.868 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.08 126.81 26.47 Favored Pre-proline 0 N--CA 1.448 -0.574 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 173.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -57.13 118.8 5.73 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 123.156 2.57 . . . . 0.0 115.366 -163.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.46 -44.52 94.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 C-N-CA 124.835 1.254 . . . . 0.0 112.041 -175.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.88 -44.5 96.67 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.551 1.14 . . . . 0.0 112.11 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.16 98.07 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 121.272 -0.892 . . . . 0.0 112.689 174.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -61.86 -42.61 99.26 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.74 -1.225 . . . . 0.0 113.593 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.24 -48.61 69.95 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.525 -1.359 . . . . 0.0 112.406 173.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.07 85.78 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.196 1.399 . . . . 0.0 113.741 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.3 -31.43 69.13 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 120.486 -1.384 . . . . 0.0 114.581 174.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -90.98 -55.88 3.39 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.719 -1.238 . . . . 0.0 111.864 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -72.99 -47.7 42.94 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.018 -1.676 . . . . 0.0 112.476 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.98 18.0 40.62 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-O 113.939 -3.701 . . . . 0.0 119.565 -169.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -70.24 -7.16 20.54 Favored 'Trans proline' 0 C--N 1.35 0.636 1 CA-C-N 129.746 6.773 . . . . 0.0 110.712 -175.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -57.57 -47.16 82.85 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 127.805 2.442 . . . . 0.0 111.123 169.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -76.01 -36.88 58.98 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 120.996 -1.065 . . . . 0.0 112.484 176.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -59.67 -40.03 86.43 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 121.013 -1.054 . . . . 0.0 112.197 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.6 t -56.86 -40.22 75.72 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 121.309 -0.869 . . . . 0.0 113.193 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.81 -48.8 70.5 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.1 p -73.61 -38.71 52.51 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -87.41 16.7 5.1 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.031 -2.293 . . . . 0.0 113.498 -162.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -70.82 -14.85 62.56 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 118.79 -2.444 . . . . 0.0 114.879 -174.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -100.39 13.27 35.03 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.112 -0.992 . . . . 0.0 111.839 172.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.349 0.556 0 O-C-N 120.649 -1.282 . . . . 0.0 111.09 175.736 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -159.25 163.89 22.34 Favored Pre-proline 0 N--CA 1.445 -0.682 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -172.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -89.04 103.35 0.39 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 CA-C-N 122.581 1.958 . . . . 0.0 108.193 -177.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.49 -44.21 98.67 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 C-N-CA 124.793 1.237 . . . . 0.0 112.546 -173.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.36 -43.98 97.54 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 121.078 -1.014 . . . . 0.0 112.741 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.84 97.0 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 121.094 -1.004 . . . . 0.0 112.644 174.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.6 m -62.91 -43.38 98.95 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.516 1.127 . . . . 0.0 113.47 176.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.55 -46.2 83.83 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.546 1.139 . . . . 0.0 112.021 173.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.49 87.21 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.772 1.229 . . . . 0.0 113.205 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.13 81.79 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -80.1 -49.93 11.04 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.238 -1.539 . . . . 0.0 113.635 170.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -72.39 -47.05 52.37 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.163 -1.586 . . . . 0.0 113.552 -172.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.81 42.75 1.32 Allowed Glycine 0 C--N 1.339 0.709 0 CA-C-O 115.372 -2.904 . . . . 0.0 116.36 -166.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -70.13 -10.19 27.7 Favored 'Trans proline' 0 CA--C 1.516 -0.388 1 CA-C-N 126.398 5.099 . . . . 0.0 111.37 -173.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -57.98 -38.06 75.36 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 127.838 2.455 . . . . 0.0 112.271 170.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.88 -38.73 89.55 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.227 -1.545 . . . . 0.0 113.055 176.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -64.01 -46.98 82.1 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 121.371 -0.83 . . . . 0.0 113.074 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.3 p -66.52 -37.45 85.07 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.47 -45.88 91.02 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.379 -1.45 . . . . 0.0 113.77 171.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.52 -49.68 29.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 O-C-N 120.381 -1.45 . . . . 0.0 114.224 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.8 t -112.27 118.41 35.19 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 123.751 1.739 . . . . 0.0 110.145 -174.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -120.03 15.43 12.43 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.623 -1.172 . . . . 0.0 109.417 -169.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -117.42 17.54 14.56 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.328 -0.858 . . . . 0.0 109.701 172.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.509 -0.613 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.788 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 . . . . . 0 N--CA 1.442 -0.866 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -161.2 164.33 18.87 Favored Pre-proline 0 N--CA 1.446 -0.665 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -88.98 105.55 0.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.607 0 CA-C-N 122.807 2.038 . . . . 0.0 109.329 -172.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.3 mm -61.51 -43.56 97.08 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 C-N-CA 125.26 1.424 . . . . 0.0 112.848 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.35 -44.17 97.63 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.595 1.158 . . . . 0.0 112.401 178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.95 97.61 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 121.107 -0.996 . . . . 0.0 112.554 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 t -62.06 -42.24 98.98 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.744 -1.223 . . . . 0.0 113.605 175.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.18 -47.32 74.33 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.994 -1.066 . . . . 0.0 112.464 173.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.4 92.63 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.822 1.249 . . . . 0.0 113.5 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.54 -35.54 76.27 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 174.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -80.03 -49.98 11.03 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.924 -1.11 . . . . 0.0 112.67 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -69.09 -42.88 75.56 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.458 -1.402 . . . . 0.0 113.03 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.16 42.09 1.47 Allowed Glycine 0 C--N 1.342 0.914 0 CA-C-O 115.29 -2.95 . . . . 0.0 116.989 -167.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -59.71 -22.01 65.66 Favored 'Trans proline' 0 C--N 1.346 0.404 1 CA-C-N 126.53 5.165 . . . . 0.0 112.084 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -55.29 -45.36 76.2 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.158 2.583 . . . . 0.0 113.063 172.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.97 -40.89 78.6 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.2 -1.562 . . . . 0.0 113.14 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -62.63 -43.02 99.86 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.517 1.127 . . . . 0.0 111.976 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -60.17 -40.99 91.91 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 124.82 1.248 . . . . 0.0 113.035 175.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.16 -42.24 99.4 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.625 -1.297 . . . . 0.0 114.19 173.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 p -82.17 -56.0 6.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 O-C-N 120.278 -1.514 . . . . 0.0 114.286 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.281 12.5 t -99.03 58.23 1.12 Allowed 'General case' 0 C--N 1.354 0.774 0 CA-C-O 125.079 2.371 . . . . 0.0 111.225 -166.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -61.13 -39.59 90.6 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.717 2.007 . . . . 0.0 113.208 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -117.56 104.42 11.03 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 164.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.9 t . . . . . 0 C--O 1.239 0.517 0 O-C-N 121.488 -0.758 . . . . 0.0 111.863 176.467 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 . . . . . 0 N--CA 1.441 -0.901 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.68 141.37 98.27 Favored Pre-proline 0 C--N 1.351 0.633 0 O-C-N 120.317 -1.49 . . . . 0.0 109.933 166.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -56.75 118.51 5.37 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.936 2.424 . . . . 0.0 115.196 -161.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 76.1 mt -65.47 -44.26 94.26 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 124.796 1.238 . . . . 0.0 111.711 -175.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.41 -43.79 97.97 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.326 1.05 . . . . 0.0 112.801 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.58 95.15 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 121.147 -0.97 . . . . 0.0 112.555 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.3 m -62.91 -44.72 95.32 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 124.432 1.093 . . . . 0.0 113.236 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.55 -44.21 94.84 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 125.125 1.37 . . . . 0.0 112.265 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.54 99.01 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.28 1.032 . . . . 0.0 113.162 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.05 97.63 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.759 -1.213 . . . . 0.0 113.619 171.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -40.36 97.11 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 124.526 1.131 . . . . 0.0 112.947 174.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -62.45 -40.92 98.18 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 124.934 1.294 . . . . 0.0 111.889 169.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.38 155.04 6.51 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 124.597 1.094 . . . . 0.0 111.402 166.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.77 -0.6 6.32 Favored 'Trans proline' 0 C--N 1.334 -0.199 0 C-N-CA 124.952 3.768 . . . . 0.0 114.311 -167.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -27.86 -66.23 0.07 Allowed 'General case' 0 C--N 1.345 0.382 0 C-N-CA 130.792 3.637 . . . . 0.0 115.745 174.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -62.15 -44.14 97.27 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.353 1.461 . . . . 0.0 114.551 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -63.99 -42.3 97.24 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.548 1.139 . . . . 0.0 111.501 177.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.7 m -61.64 -38.51 87.96 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 125.613 1.565 . . . . 0.0 112.924 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.6 mt -65.76 -50.71 63.77 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.526 -1.359 . . . . 0.0 113.932 170.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -83.55 -48.12 17.55 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -171.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.303 13.9 t -102.94 72.8 1.21 Allowed 'General case' 0 C--N 1.351 0.632 0 CA-C-O 124.96 2.314 . . . . 0.0 110.788 -165.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -89.56 2.17 54.99 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 120.017 -1.677 . . . . 0.0 111.879 -176.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -108.54 23.56 14.35 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 123.949 0.9 . . . . 0.0 109.634 173.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.349 0.552 0 C-N-CA 124.198 0.999 . . . . 0.0 112.256 177.507 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 N--CA 1.443 -0.801 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.79 146.52 98.42 Favored Pre-proline 0 C--N 1.346 0.432 0 O-C-N 120.536 -1.352 . . . . 0.0 109.561 165.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -86.2 106.28 0.8 Allowed 'Trans proline' 0 N--CA 1.462 -0.364 0 CA-C-N 124.295 2.57 . . . . 0.0 110.856 -153.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.08 -44.48 95.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 126.0 1.72 . . . . 0.0 113.264 -171.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.23 -45.0 95.29 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.156 -0.965 . . . . 0.0 112.413 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.18 95.29 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 121.16 -0.963 . . . . 0.0 112.456 174.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -61.71 -42.36 98.85 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.899 -1.126 . . . . 0.0 113.506 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.07 -48.85 69.64 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.565 -1.334 . . . . 0.0 112.226 173.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.02 -39.54 92.63 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.894 1.278 . . . . 0.0 113.63 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.34 -35.97 76.87 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -85.05 -50.34 7.53 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.892 -1.13 . . . . 0.0 112.322 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -69.54 -43.27 73.33 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.43 -1.419 . . . . 0.0 113.284 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.58 45.59 1.1 Allowed Glycine 0 C--N 1.342 0.887 0 CA-C-O 115.616 -2.769 . . . . 0.0 116.528 -167.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -67.57 -12.8 36.9 Favored 'Trans proline' 0 CA--C 1.518 -0.292 1 CA-C-N 126.135 4.967 . . . . 0.0 111.451 -178.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -39.42 82.5 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 125.417 1.487 . . . . 0.0 113.416 167.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 pp -67.29 -41.96 84.55 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.267 -1.521 . . . . 0.0 112.789 175.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -62.15 -41.56 98.41 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 121.003 -1.061 . . . . 0.0 112.227 174.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.8 t -58.98 -40.62 85.38 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.429 -0.795 . . . . 0.0 112.98 173.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.79 -48.76 73.29 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 120.556 -1.34 . . . . 0.0 114.478 173.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.0 m -76.12 -46.6 33.58 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.274 13.8 t -104.55 56.16 0.71 Allowed 'General case' 0 C--N 1.352 0.703 0 O-C-N 119.342 -2.099 . . . . 0.0 111.558 -168.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -75.93 -17.76 59.63 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 119.437 -2.039 . . . . 0.0 112.536 172.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -40.71 90.57 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 121.279 -0.888 . . . . 0.0 112.162 168.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 CA--C 1.509 -0.634 0 O-C-N 120.433 -1.417 . . . . 0.0 108.861 177.858 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . 0.29 12.6 p90 . . . . . 0 N--CA 1.444 -0.744 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -160.86 159.59 25.14 Favored Pre-proline 0 N--CA 1.45 -0.446 0 O-C-N 120.565 -1.335 . . . . 0.0 108.15 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.57 83.37 1.92 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 CA-C-N 123.137 2.156 . . . . 0.0 111.355 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.2 mt -57.04 -43.14 80.61 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 125.547 1.539 . . . . 0.0 113.029 -171.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.47 -42.12 98.29 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 124.52 1.128 . . . . 0.0 113.103 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.42 -44.3 87.81 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.036 -1.04 . . . . 0.0 112.468 176.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 m -61.84 -43.09 99.54 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 124.055 0.942 . . . . 0.0 113.311 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.35 -46.27 87.33 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.038 -1.038 . . . . 0.0 112.215 175.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.2 99.02 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 121.082 -1.011 . . . . 0.0 113.36 175.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.81 99.68 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.36 1.064 . . . . 0.0 113.513 173.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -66.63 -41.85 87.66 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.493 -1.38 . . . . 0.0 113.54 172.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -68.52 -47.42 67.01 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.573 1.149 . . . . 0.0 113.57 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.34 83.88 0.07 OUTLIER Glycine 0 C--N 1.345 1.065 0 O-C-N 120.341 -1.474 . . . . 0.0 113.028 -172.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.87 -4.08 14.05 Favored 'Trans proline' 0 CA--C 1.521 -0.132 0 C-N-CA 123.939 3.092 . . . . 0.0 112.555 -171.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.23 -35.77 70.1 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.566 1.946 . . . . 0.0 112.446 172.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 pp -60.61 -41.5 94.91 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.932 -1.105 . . . . 0.0 113.649 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -64.29 -43.52 94.5 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.871 -1.143 . . . . 0.0 112.454 174.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -61.08 -42.49 98.6 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 124.115 0.966 . . . . 0.0 113.008 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.55 -44.16 97.03 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.751 -1.218 . . . . 0.0 114.016 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -76.98 -51.36 18.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 120.271 -1.518 . . . . 0.0 113.902 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 t -105.9 106.92 17.66 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 123.964 1.84 . . . . 0.0 110.521 -173.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -112.23 8.55 19.83 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.273 -1.331 . . . . 0.0 111.044 -170.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -102.53 10.47 38.82 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 120.93 -1.106 . . . . 0.0 109.748 171.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 CA--C 1.514 -0.442 0 C-N-CA 125.214 1.406 . . . . 0.0 113.298 -170.521 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 . . . . . 0 N--CA 1.443 -0.797 0 CA-C-O 120.917 0.389 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp -146.61 163.4 29.63 Favored Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 -174.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -87.23 102.54 0.54 Allowed 'Trans proline' 0 N--CA 1.459 -0.505 0 CA-C-N 123.417 2.256 . . . . 0.0 109.51 -173.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.7 mm -60.45 -41.67 88.35 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 C-N-CA 125.378 1.471 . . . . 0.0 113.541 -169.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.99 -42.02 97.61 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 124.549 1.14 . . . . 0.0 113.142 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.27 87.16 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 121.165 -0.959 . . . . 0.0 112.479 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.5 m -62.61 -43.26 99.24 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.103 0.961 . . . . 0.0 113.474 175.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.2 -46.36 87.43 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 124.262 1.025 . . . . 0.0 112.107 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.74 98.55 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 121.115 -0.991 . . . . 0.0 113.18 175.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.47 99.76 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 173.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -42.45 82.07 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.401 -1.437 . . . . 0.0 113.051 174.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -67.76 -47.07 70.24 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.523 -1.361 . . . . 0.0 113.693 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.42 82.7 0.08 OUTLIER Glycine 0 C--N 1.345 1.051 0 O-C-N 120.157 -1.589 . . . . 0.0 113.46 -171.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.49 -4.24 14.11 Favored 'Trans proline' 0 C--N 1.336 -0.113 0 C-N-CA 124.009 3.139 . . . . 0.0 112.41 -171.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -36.84 69.79 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.606 1.962 . . . . 0.0 112.454 172.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.38 -42.83 99.34 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 120.842 -1.161 . . . . 0.0 113.714 176.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -64.55 -42.3 95.78 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.822 -1.174 . . . . 0.0 112.444 173.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.4 t -60.11 -43.25 95.74 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 124.292 1.037 . . . . 0.0 112.864 177.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.65 -44.13 97.54 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 m -79.29 -54.05 12.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 O-C-N 120.181 -1.574 . . . . 0.0 113.448 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -104.75 60.73 0.7 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 123.979 1.847 . . . . 0.0 109.866 -170.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -60.44 -44.04 96.22 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 126.848 2.059 . . . . 0.0 113.668 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.8 mttp 73.88 22.21 2.51 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 126.025 1.73 . . . . 0.0 112.083 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.2 t . . . . . 0 N--CA 1.446 -0.656 0 N-CA-C 105.507 -2.035 . . . . 0.0 105.507 174.859 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -88.13 103.93 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.473 0 CA-C-N 123.313 2.219 . . . . 0.0 109.513 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.55 -41.99 89.84 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 C-N-CA 125.503 1.521 . . . . 0.0 113.081 -170.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.07 -42.25 98.14 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 124.632 1.173 . . . . 0.0 112.748 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.07 90.96 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 121.215 -0.928 . . . . 0.0 112.581 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.5 m -62.35 -43.32 99.09 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.51 -45.52 90.29 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.886 -1.134 . . . . 0.0 111.963 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.53 99.0 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.082 0.953 . . . . 0.0 112.901 174.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.61 99.09 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.626 -1.296 . . . . 0.0 114.407 173.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -70.39 -45.45 65.97 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.401 -1.437 . . . . 0.0 113.74 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -83.15 -44.32 15.21 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.195 -1.566 . . . . 0.0 113.164 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.14 53.49 0.63 Allowed Glycine 0 C--N 1.34 0.801 0 CA-C-O 116.522 -2.265 . . . . 0.0 116.212 -162.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -68.45 -6.88 18.71 Favored 'Trans proline' 0 N--CA 1.472 0.21 1 CA-C-N 124.301 4.051 . . . . 0.0 110.906 177.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -54.58 -43.84 72.47 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 129.336 3.054 . . . . 0.0 111.966 166.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 pp -67.36 -41.77 84.54 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 120.559 -1.338 . . . . 0.0 113.125 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -62.37 -43.13 99.53 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 121.147 -0.971 . . . . 0.0 111.881 174.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.6 m -59.41 -40.53 86.95 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 124.791 1.236 . . . . 0.0 113.115 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.84 -43.36 99.01 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.7 -1.25 . . . . 0.0 114.186 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -85.47 -56.22 5.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 O-C-N 120.529 -1.357 . . . . 0.0 114.186 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 t -96.71 56.13 1.46 Allowed 'General case' 0 C--N 1.352 0.698 0 CA-C-O 124.363 2.03 . . . . 0.0 111.311 -165.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm . . . . . 0 N--CA 1.449 -0.483 0 C-N-CA 126.45 1.9 . . . . 0.0 114.046 -178.953 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -56.46 117.96 4.71 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.742 2.295 . . . . 0.0 114.236 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.99 -43.88 92.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 C-N-CA 124.693 1.197 . . . . 0.0 111.749 -175.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.06 -43.59 98.66 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.809 1.243 . . . . 0.0 112.384 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.65 95.89 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 121.092 -1.005 . . . . 0.0 112.847 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.8 t -61.6 -42.8 99.38 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.957 -1.089 . . . . 0.0 113.217 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -67.77 -51.85 44.13 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 120.811 -1.181 . . . . 0.0 112.341 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.49 -42.81 91.74 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -175.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.92 -16.46 60.02 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.267 -1.521 . . . . 0.0 113.046 -178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -90.82 -52.63 4.77 Favored 'General case' 0 N--CA 1.447 -0.625 0 O-C-N 121.021 -1.049 . . . . 0.0 111.991 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -73.97 -45.12 52.14 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.045 -1.66 . . . . 0.0 112.754 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.81 42.17 1.45 Allowed Glycine 0 C--N 1.343 0.929 0 CA-C-O 115.424 -2.876 . . . . 0.0 116.805 -165.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -68.01 -8.85 23.86 Favored 'Trans proline' 0 C--N 1.345 0.393 1 CA-C-N 126.308 5.054 . . . . 0.0 111.965 -175.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -56.94 -42.3 79.79 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 127.218 2.207 . . . . 0.0 112.079 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.72 -41.02 92.77 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 120.72 -1.238 . . . . 0.0 113.142 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -62.84 -43.63 98.27 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 121.062 -1.024 . . . . 0.0 112.035 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -59.56 -40.22 86.6 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 123.961 0.905 . . . . 0.0 113.383 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.23 -44.53 94.99 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.598 -1.314 . . . . 0.0 114.092 173.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.96 -45.49 22.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 120.159 -1.588 . . . . 0.0 114.908 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -91.41 13.4 17.64 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -152.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 mttp . . . . . 0 CA--C 1.539 0.546 1 N-CA-C 122.104 4.113 . . . . 0.0 122.104 -170.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 N--CA 1.448 -0.567 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -57.43 117.31 3.99 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 CA-C-N 123.505 2.288 . . . . 0.0 114.111 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.08 -45.73 82.86 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 C-N-CA 124.0 0.92 . . . . 0.0 111.87 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.19 -44.42 96.64 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.432 1.093 . . . . 0.0 112.654 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.54 96.7 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 121.137 -0.977 . . . . 0.0 112.715 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -62.61 -43.07 99.73 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 121.016 -1.052 . . . . 0.0 113.249 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.16 -49.34 65.1 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 124.065 0.946 . . . . 0.0 112.864 175.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.73 91.23 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 124.688 1.195 . . . . 0.0 113.73 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.36 -16.73 63.01 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -92.59 -54.19 3.88 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.804 -1.185 . . . . 0.0 110.745 170.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -66.65 -43.65 84.03 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.682 1.193 . . . . 0.0 114.177 -174.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.72 54.64 0.52 Allowed Glycine 0 C--N 1.345 1.048 0 CA-C-O 117.086 -1.952 . . . . 0.0 114.898 -173.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -67.88 -8.01 21.29 Favored 'Trans proline' 0 CA--C 1.517 -0.355 0 CA-C-N 123.934 3.867 . . . . 0.0 112.728 -172.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -58.68 -38.73 78.84 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 127.171 2.189 . . . . 0.0 112.0 175.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.02 -39.0 90.77 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -177.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -62.4 -45.45 93.08 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 121.086 -1.008 . . . . 0.0 112.191 178.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 m -61.65 -39.87 92.9 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.475 1.11 . . . . 0.0 113.24 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.43 -43.5 97.27 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.858 -1.151 . . . . 0.0 113.93 174.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -85.18 -56.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 O-C-N 120.512 -1.368 . . . . 0.0 114.068 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.262 14.2 t -101.34 58.54 0.87 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-O 125.016 2.341 . . . . 0.0 111.082 -164.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 126.571 1.948 . . . . 0.0 114.328 -174.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -57.73 118.69 5.6 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.59 2.193 . . . . 0.0 114.325 177.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.3 mt -66.1 -44.28 91.92 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 C-N-CA 124.519 1.128 . . . . 0.0 111.781 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.34 -44.18 97.61 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.759 1.224 . . . . 0.0 112.591 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.96 98.62 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.082 -1.011 . . . . 0.0 112.748 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 t -62.27 -42.89 99.74 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.926 -1.109 . . . . 0.0 113.357 176.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.81 -48.44 68.96 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.158 0.983 . . . . 0.0 112.652 174.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.13 91.41 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 124.932 1.293 . . . . 0.0 113.491 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.44 -15.83 63.36 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -94.26 -57.82 2.4 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.758 -1.214 . . . . 0.0 110.844 172.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -68.39 -44.02 76.03 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.472 -1.393 . . . . 0.0 113.412 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.16 36.48 2.25 Favored Glycine 0 C--N 1.345 1.032 0 CA-C-O 114.497 -3.39 . . . . 0.0 117.838 -167.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.41 -12.21 33.04 Favored 'Trans proline' 0 C--N 1.346 0.401 1 CA-C-N 127.772 5.786 . . . . 0.0 111.587 -173.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -55.59 -39.69 71.06 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 128.28 2.632 . . . . 0.0 112.251 170.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.46 -38.32 87.07 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 120.606 -1.309 . . . . 0.0 113.4 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -62.9 -44.83 95.04 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 121.16 -0.962 . . . . 0.0 112.09 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.4 m -59.63 -38.8 82.33 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.78 -43.67 95.67 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.729 -1.232 . . . . 0.0 114.155 173.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.6 p -82.59 -53.21 12.2 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 O-C-N 120.209 -1.557 . . . . 0.0 114.178 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 t -101.94 63.48 0.92 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-O 124.341 2.02 . . . . 0.0 110.12 -168.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.1 mttp . . . . . 0 C--N 1.346 0.441 0 C-N-CA 126.516 1.926 . . . . 0.0 114.203 -173.64 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -88.58 104.66 0.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 CA-C-N 122.784 2.03 . . . . 0.0 109.613 -171.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.1 mt -61.57 -43.81 97.58 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 125.355 1.462 . . . . 0.0 112.595 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.27 -42.25 98.32 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.319 1.048 . . . . 0.0 112.989 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.42 -43.63 93.73 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 121.069 -1.019 . . . . 0.0 112.846 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.3 t -63.75 -44.06 94.59 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 121.279 -0.888 . . . . 0.0 113.231 175.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.53 -47.08 85.49 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.537 1.135 . . . . 0.0 112.167 175.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.28 92.04 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.34 1.056 . . . . 0.0 113.399 175.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.25 97.22 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 174.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -73.04 -46.55 51.24 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.642 -1.286 . . . . 0.0 114.374 169.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -68.4 -43.2 77.78 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.33 66.51 0.29 Allowed Glycine 0 C--N 1.344 0.996 0 O-C-N 120.212 -1.555 . . . . 0.0 113.793 -173.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.77 -6.09 17.11 Favored 'Trans proline' 0 C--O 1.234 0.279 0 CA-C-N 122.602 3.201 . . . . 0.0 112.234 -174.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -73.78 -22.53 59.8 Favored 'General case' 0 N--CA 1.439 -1.019 0 O-C-N 120.828 -1.17 . . . . 0.0 113.517 170.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 pp -63.58 -43.03 98.19 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 120.903 1.683 . . . . 0.0 112.345 173.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -62.53 -42.25 99.4 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 124.419 1.088 . . . . 0.0 111.939 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 m -59.94 -41.16 91.23 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 123.8 0.84 . . . . 0.0 112.896 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.13 -44.4 88.8 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 174.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.6 p -84.48 -54.5 8.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.457 -1.402 . . . . 0.0 114.133 -175.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -98.64 65.58 1.59 Allowed 'General case' 0 C--N 1.353 0.721 0 CA-C-O 123.663 1.696 . . . . 0.0 110.376 -165.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm . . . . . 0 N--CA 1.449 -0.493 0 C-N-CA 125.467 1.507 . . . . 0.0 114.51 -173.485 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 105.523 -2.029 . . . . 0.0 105.523 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -58.37 118.2 5.05 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 CA-C-N 123.01 2.111 . . . . 0.0 113.905 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.8 mt -67.95 -45.26 84.13 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 C-N-CA 123.868 0.867 . . . . 0.0 111.961 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.87 -43.68 98.13 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.245 1.018 . . . . 0.0 113.097 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.0 98.07 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 121.164 -0.96 . . . . 0.0 112.626 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.5 m -62.92 -44.31 96.42 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.13 0.972 . . . . 0.0 113.087 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.43 -44.56 94.2 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.026 1.33 . . . . 0.0 112.473 175.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.66 97.88 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.599 1.16 . . . . 0.0 113.284 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.73 98.92 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 120.727 -1.233 . . . . 0.0 113.648 170.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -40.36 96.46 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.764 -1.21 . . . . 0.0 113.096 175.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.88 -40.76 96.51 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 125.378 1.471 . . . . 0.0 111.691 168.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.82 149.19 8.16 Favored Glycine 0 C--N 1.34 0.762 0 C-N-CA 126.152 1.834 . . . . 0.0 110.858 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -70.17 -2.31 10.25 Favored 'Trans proline' 0 C--N 1.332 -0.294 0 C-N-CA 124.508 3.472 . . . . 0.0 115.634 -157.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -33.88 -52.27 0.43 Allowed 'General case' 0 C--N 1.348 0.526 0 C-N-CA 129.194 2.998 . . . . 0.0 116.093 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -62.04 -43.39 98.95 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 125.06 1.344 . . . . 0.0 114.312 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -66.42 -44.78 82.0 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.327 1.051 . . . . 0.0 111.61 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.0 m -60.03 -39.36 85.64 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.62 1.168 . . . . 0.0 113.375 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.45 -43.85 97.82 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.1 p -88.96 -57.68 4.06 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 O-C-N 120.633 -1.292 . . . . 0.0 113.979 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.261 11.7 t -95.14 61.61 2.45 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 125.165 2.412 . . . . 0.0 111.49 -163.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm . . . . . 0 N--CA 1.447 -0.592 0 O-C-N 120.095 -1.628 . . . . 0.0 112.602 -177.965 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -73.16 84.98 1.27 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.504 2.136 . . . . 0.0 110.836 168.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.4 mt -57.29 -40.58 74.76 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 125.553 1.541 . . . . 0.0 113.113 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.54 -41.69 94.99 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.896 -1.127 . . . . 0.0 113.137 177.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.69 89.87 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.948 -1.095 . . . . 0.0 112.498 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.0 m -62.3 -42.99 99.82 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.124 -0.985 . . . . 0.0 113.432 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.04 -46.71 86.26 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 124.659 1.183 . . . . 0.0 112.158 175.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.55 98.45 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 124.302 1.041 . . . . 0.0 113.281 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.29 98.75 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -44.42 74.81 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.646 -1.284 . . . . 0.0 113.071 173.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -67.4 -46.29 73.66 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.673 1.189 . . . . 0.0 114.04 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.67 79.22 0.09 OUTLIER Glycine 0 C--N 1.345 1.04 0 O-C-N 120.205 -1.56 . . . . 0.0 113.463 -171.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -69.94 -4.16 13.59 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 124.113 3.209 . . . . 0.0 112.119 -174.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -57.59 -37.78 73.79 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.167 1.787 . . . . 0.0 112.472 169.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.01 -43.24 99.27 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.788 -1.195 . . . . 0.0 113.838 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -64.53 -43.16 94.9 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.896 -1.127 . . . . 0.0 112.13 172.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.9 m -60.32 -39.69 87.95 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 125.17 1.388 . . . . 0.0 113.27 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.32 -43.33 99.08 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.79 -1.194 . . . . 0.0 113.992 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.3 p -84.08 -54.95 7.81 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 O-C-N 120.532 -1.355 . . . . 0.0 113.591 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.274 14.9 t -102.24 64.1 0.91 Allowed 'General case' 0 C--N 1.351 0.672 0 CA-C-O 124.824 2.25 . . . . 0.0 110.976 -166.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.2 mttp . . . . . 0 C--N 1.346 0.442 0 C-N-CA 126.0 1.72 . . . . 0.0 113.099 -179.091 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.448 -0.531 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -88.78 104.43 0.43 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 CA-C-N 122.61 1.968 . . . . 0.0 109.451 -173.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.6 mm -61.96 -43.53 97.66 Favored 'Isoleucine or valine' 0 C--N 1.347 0.471 0 C-N-CA 125.183 1.393 . . . . 0.0 113.152 -173.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.01 -42.94 99.41 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 120.986 -1.071 . . . . 0.0 112.711 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.47 96.4 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 121.047 -1.033 . . . . 0.0 112.776 174.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.7 t -63.18 -44.09 96.4 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 121.039 -1.038 . . . . 0.0 113.509 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.81 -45.62 91.78 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.825 -1.172 . . . . 0.0 112.064 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.6 -41.58 97.65 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.215 1.006 . . . . 0.0 113.068 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.07 -39.1 88.6 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -74.96 -49.25 20.68 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.287 -1.508 . . . . 0.0 114.125 171.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -75.65 -45.72 35.55 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.184 -1.572 . . . . 0.0 113.29 -173.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.64 52.03 0.7 Allowed Glycine 0 C--N 1.34 0.803 0 CA-C-O 116.615 -2.214 . . . . 0.0 115.711 -167.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -69.08 -8.86 24.76 Favored 'Trans proline' 0 C--N 1.345 0.394 1 CA-C-N 124.407 4.103 . . . . 0.0 110.136 174.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -48.19 -50.86 27.62 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 130.235 3.414 . . . . 0.0 111.584 165.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -67.52 -39.18 85.1 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 120.622 -1.299 . . . . 0.0 113.319 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.79 -43.67 98.39 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 121.198 -0.939 . . . . 0.0 112.102 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.8 p -59.67 -39.75 85.51 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.37 -42.77 98.89 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.931 -1.106 . . . . 0.0 113.879 174.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.7 p -85.32 -57.54 4.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 120.466 -1.396 . . . . 0.0 113.99 -177.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.6 t -94.69 55.24 1.88 Allowed 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.104 -1.623 . . . . 0.0 111.527 -166.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 126.811 2.044 . . . . 0.0 112.977 175.71 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -88.21 105.72 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.58 0 CA-C-N 122.618 1.971 . . . . 0.0 109.523 -171.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 mm -61.25 -43.09 95.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 125.419 1.488 . . . . 0.0 112.906 -174.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.21 -44.16 97.72 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 124.432 1.093 . . . . 0.0 112.48 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.86 95.71 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 121.01 -1.056 . . . . 0.0 112.69 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -60.88 -42.67 98.4 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.97 -1.081 . . . . 0.0 113.178 175.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 tp -67.58 -50.95 55.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.578 -1.326 . . . . 0.0 113.082 173.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.37 89.89 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.58 -15.58 59.15 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.625 -1.297 . . . . 0.0 112.998 -178.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -87.96 -48.67 7.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 121.1 -1.0 . . . . 0.0 112.077 173.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -68.83 -43.12 76.2 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.231 -1.543 . . . . 0.0 112.572 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.16 58.62 0.69 Allowed Glycine 0 C--N 1.342 0.886 0 CA-C-O 116.589 -2.228 . . . . 0.0 115.04 -171.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -58.21 -20.83 48.82 Favored 'Trans proline' 0 C--N 1.343 0.252 0 CA-C-N 124.171 3.986 . . . . 0.0 111.865 168.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -54.02 -44.39 70.91 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 127.613 2.365 . . . . 0.0 113.38 171.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -67.8 -39.94 83.93 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 120.183 -1.573 . . . . 0.0 113.008 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -62.82 -43.58 98.43 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 124.609 1.164 . . . . 0.0 111.955 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.6 t -59.6 -42.61 92.98 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.145 0.978 . . . . 0.0 112.881 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.28 -43.12 99.56 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.558 -1.339 . . . . 0.0 114.373 174.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 p -85.35 -56.01 6.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 120.364 -1.46 . . . . 0.0 114.565 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.254 9.6 t -98.28 62.77 1.51 Allowed 'General case' 0 C--N 1.351 0.671 0 CA-C-O 125.003 2.335 . . . . 0.0 111.273 -163.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm . . . . . 0 N--CA 1.447 -0.591 0 O-C-N 120.217 -1.552 . . . . 0.0 113.779 -174.403 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.12 84.04 1.74 Allowed 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.541 2.16 . . . . 0.0 111.383 175.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.0 mm -59.74 -45.49 94.5 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 124.911 1.284 . . . . 0.0 113.553 -172.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.05 -44.01 97.6 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 124.142 0.977 . . . . 0.0 112.875 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.88 97.28 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 121.05 -1.031 . . . . 0.0 112.485 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 t -63.66 -43.69 95.99 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.599 -1.313 . . . . 0.0 113.297 174.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.27 -46.02 90.67 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 124.993 1.317 . . . . 0.0 112.166 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.74 -37.51 79.16 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 124.431 1.092 . . . . 0.0 112.572 174.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.03 -11.24 60.27 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.21 -54.16 4.23 Favored 'General case' 0 C--N 1.355 0.804 0 O-C-N 120.132 -1.605 . . . . 0.0 109.49 163.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.87 -43.78 91.82 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -171.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.47 57.97 0.47 Allowed Glycine 0 C--N 1.344 0.983 0 CA-C-O 117.241 -1.866 . . . . 0.0 114.395 -175.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.81 -7.64 18.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 CA-C-N 124.012 3.906 . . . . 0.0 112.48 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -58.06 -41.28 83.02 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 126.56 1.944 . . . . 0.0 111.995 169.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -63.64 -40.81 97.81 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 120.816 -1.178 . . . . 0.0 113.605 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -63.05 -44.07 96.87 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 121.165 -0.96 . . . . 0.0 112.193 175.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -62.25 -41.07 98.11 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.43 1.092 . . . . 0.0 113.111 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.08 -44.18 96.46 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.268 -1.52 . . . . 0.0 114.069 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.18 -51.31 16.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 O-C-N 120.55 -1.344 . . . . 0.0 114.361 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -112.74 124.53 52.79 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 119.451 -2.031 . . . . 0.0 110.607 -169.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm . . . . . 0 N--CA 1.448 -0.525 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.917 -163.784 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 104.366 -2.457 . . . . 0.0 104.366 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -57.31 118.28 5.12 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.643 2.228 . . . . 0.0 114.352 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.09 -44.12 91.99 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 C-N-CA 124.342 1.057 . . . . 0.0 112.222 -176.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.61 -43.79 98.2 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.855 1.262 . . . . 0.0 112.415 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.98 98.53 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.247 -0.908 . . . . 0.0 112.664 174.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -62.75 -42.15 99.54 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.877 -1.139 . . . . 0.0 113.648 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.02 -47.29 74.9 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 121.127 -0.983 . . . . 0.0 112.542 174.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.36 95.29 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 124.785 1.234 . . . . 0.0 113.375 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.03 -34.87 73.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 175.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -83.41 -52.81 6.2 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 120.787 -1.195 . . . . 0.0 112.397 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -73.01 -46.08 54.12 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.297 -1.502 . . . . 0.0 113.024 -174.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.3 40.5 1.63 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-O 115.302 -2.943 . . . . 0.0 116.66 -166.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -69.44 -10.42 28.78 Favored 'Trans proline' 0 CA--C 1.515 -0.472 1 CA-C-N 126.451 5.126 . . . . 0.0 111.394 -175.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -56.82 -39.76 74.76 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 127.413 2.285 . . . . 0.0 112.116 171.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.28 -39.18 89.24 Favored 'General case' 0 C--N 1.356 0.878 0 O-C-N 120.831 -1.168 . . . . 0.0 113.199 175.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -62.61 -44.38 96.44 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 121.103 -0.998 . . . . 0.0 112.082 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.5 m -59.26 -38.77 80.9 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.3 -45.38 88.19 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.594 -1.317 . . . . 0.0 114.248 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.9 m -82.68 -51.81 14.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 O-C-N 120.269 -1.519 . . . . 0.0 114.569 -176.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.27 11.3 t -98.78 60.28 1.26 Allowed 'General case' 0 C--N 1.352 0.694 0 CA-C-O 124.643 2.163 . . . . 0.0 111.633 -164.448 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.8 mttp . . . . . 0 N--CA 1.453 -0.279 0 C-N-CA 126.388 1.875 . . . . 0.0 113.375 179.322 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 104.778 -2.304 . . . . 0.0 104.778 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -57.69 118.18 5.01 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.674 2.249 . . . . 0.0 114.47 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.91 -44.97 88.44 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 C-N-CA 124.379 1.072 . . . . 0.0 111.939 -177.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.8 -44.43 96.88 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 124.537 1.135 . . . . 0.0 112.611 -178.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.06 98.27 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.113 -0.992 . . . . 0.0 112.755 174.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 t -62.15 -43.32 99.09 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.972 -1.08 . . . . 0.0 113.275 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.3 tp -67.0 -47.54 71.19 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 121.196 -0.94 . . . . 0.0 113.37 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.55 95.66 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.739 1.216 . . . . 0.0 113.266 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.82 -16.16 63.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -91.84 -54.87 3.68 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 120.769 -1.207 . . . . 0.0 111.058 171.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -67.43 -43.9 80.04 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.554 -1.341 . . . . 0.0 113.359 -176.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.54 52.59 0.59 Allowed Glycine 0 C--N 1.343 0.964 0 CA-C-O 116.138 -2.479 . . . . 0.0 115.888 -170.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -60.03 -22.14 68.08 Favored 'Trans proline' 0 C--N 1.346 0.408 1 CA-C-N 124.628 4.214 . . . . 0.0 111.426 173.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.451 ' H ' ' HG3' ' A' ' 15' ' ' LYS . 44.3 mttt -37.45 -48.43 0.96 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 130.807 3.643 . . . . 0.0 113.881 163.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.0 -39.02 83.32 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.688 -1.258 . . . . 0.0 113.617 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -63.32 -43.87 96.57 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.967 -1.083 . . . . 0.0 111.804 177.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 m -59.7 -38.95 82.99 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.277 1.031 . . . . 0.0 113.459 175.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.11 -43.05 99.51 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.68 -1.262 . . . . 0.0 113.963 172.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.5 m -83.24 -54.89 8.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.674 0 O-C-N 120.535 -1.353 . . . . 0.0 114.379 -177.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.29 7.9 t -97.41 56.94 1.37 Allowed 'General case' 0 C--N 1.354 0.803 0 CA-C-O 125.32 2.486 . . . . 0.0 111.635 -164.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm . . . . . 0 N--CA 1.45 -0.442 0 C-N-CA 126.925 2.09 . . . . 0.0 113.055 179.052 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -87.35 106.36 0.63 Allowed 'Trans proline' 0 N--CA 1.459 -0.525 0 CA-C-N 122.968 2.096 . . . . 0.0 110.436 -155.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.1 mt -60.71 -43.16 94.48 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 C-N-CA 126.068 1.747 . . . . 0.0 112.376 -175.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.29 -43.69 98.45 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 124.505 1.122 . . . . 0.0 112.422 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.31 96.88 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.062 -1.024 . . . . 0.0 112.646 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 t -62.57 -42.01 99.29 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.641 -1.287 . . . . 0.0 113.791 174.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.91 -46.42 81.76 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.54 1.136 . . . . 0.0 112.061 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.29 90.5 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.042 1.337 . . . . 0.0 113.278 176.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.09 -33.67 72.42 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.485 -1.384 . . . . 0.0 114.624 174.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -87.41 -56.5 3.34 Favored 'General case' 0 C--N 1.347 0.463 0 O-C-N 120.879 -1.138 . . . . 0.0 112.709 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -78.41 -44.73 24.08 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 119.882 -1.761 . . . . 0.0 111.905 -175.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.53 19.67 36.08 Favored Glycine 0 C--N 1.34 0.805 1 CA-C-O 113.303 -4.054 . . . . 0.0 119.477 -167.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.75 -6.79 19.43 Favored 'Trans proline' 0 C--N 1.351 0.687 1 CA-C-N 130.089 6.945 . . . . 0.0 110.984 -174.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.405 ' HG2' ' H ' ' A' ' 15' ' ' LYS . 5.6 mmtp -53.93 -47.08 71.59 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 128.675 2.79 . . . . 0.0 111.089 165.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.71 -40.02 76.54 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.703 -1.248 . . . . 0.0 113.154 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.56 -42.97 99.62 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.968 -1.082 . . . . 0.0 111.806 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -60.93 -38.29 85.29 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.312 1.445 . . . . 0.0 113.26 174.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.55 -41.71 99.08 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.509 -1.369 . . . . 0.0 113.805 171.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.669 HG13 ' H ' ' A' ' 21' ' ' THR 0.294 9.6 p -86.18 -102.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 119.533 1.061 . . . . 0.0 113.248 178.011 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.669 ' H ' HG13 ' A' ' 20' ' ' VAL . 7.4 t -67.71 141.65 56.56 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 119.656 -1.902 . . . . 0.0 115.127 -170.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 mttm . . . . . 0 C--N 1.349 0.55 0 O-C-N 121.044 -1.035 . . . . 0.0 109.352 179.84 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -57.13 118.8 5.73 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 123.156 2.57 . . . . 0.0 115.366 -163.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.46 -44.52 94.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 C-N-CA 124.835 1.254 . . . . 0.0 112.041 -175.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.88 -44.5 96.67 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.551 1.14 . . . . 0.0 112.11 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.16 98.07 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 121.272 -0.892 . . . . 0.0 112.689 174.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -61.86 -42.61 99.26 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.74 -1.225 . . . . 0.0 113.593 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.24 -48.61 69.95 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.525 -1.359 . . . . 0.0 112.406 173.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.07 85.78 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.196 1.399 . . . . 0.0 113.741 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.3 -31.43 69.13 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 120.486 -1.384 . . . . 0.0 114.581 174.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -90.98 -55.88 3.39 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.719 -1.238 . . . . 0.0 111.864 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -72.99 -47.7 42.94 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.018 -1.676 . . . . 0.0 112.476 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.98 18.0 40.62 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-O 113.939 -3.701 . . . . 0.0 119.565 -169.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -70.24 -7.16 20.54 Favored 'Trans proline' 0 C--N 1.35 0.636 1 CA-C-N 129.746 6.773 . . . . 0.0 110.712 -175.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 15' ' ' LYS . 13.6 mmtm -57.57 -47.16 82.85 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 127.805 2.442 . . . . 0.0 111.123 169.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -76.01 -36.88 58.98 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 120.996 -1.065 . . . . 0.0 112.484 176.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -59.67 -40.03 86.43 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 121.013 -1.054 . . . . 0.0 112.197 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.6 t -56.86 -40.22 75.72 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 121.309 -0.869 . . . . 0.0 113.193 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.81 -48.8 70.5 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.1 p -73.61 -38.71 52.51 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -87.41 16.7 5.1 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.031 -2.293 . . . . 0.0 113.498 -162.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.2 mttm . . . . . 0 C--N 1.348 0.502 0 O-C-N 118.79 -2.444 . . . . 0.0 114.879 -174.257 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -89.04 103.35 0.39 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 CA-C-N 122.581 1.958 . . . . 0.0 108.193 -177.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.49 -44.21 98.67 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 C-N-CA 124.793 1.237 . . . . 0.0 112.546 -173.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.36 -43.98 97.54 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 121.078 -1.014 . . . . 0.0 112.741 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.84 97.0 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 121.094 -1.004 . . . . 0.0 112.644 174.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.6 m -62.91 -43.38 98.95 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.516 1.127 . . . . 0.0 113.47 176.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.55 -46.2 83.83 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.546 1.139 . . . . 0.0 112.021 173.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.49 87.21 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.772 1.229 . . . . 0.0 113.205 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.13 81.79 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -80.1 -49.93 11.04 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.238 -1.539 . . . . 0.0 113.635 170.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -72.39 -47.05 52.37 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.163 -1.586 . . . . 0.0 113.552 -172.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.81 42.75 1.32 Allowed Glycine 0 C--N 1.339 0.709 0 CA-C-O 115.372 -2.904 . . . . 0.0 116.36 -166.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -70.13 -10.19 27.7 Favored 'Trans proline' 0 CA--C 1.516 -0.388 1 CA-C-N 126.398 5.099 . . . . 0.0 111.37 -173.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -57.98 -38.06 75.36 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 127.838 2.455 . . . . 0.0 112.271 170.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.88 -38.73 89.55 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.227 -1.545 . . . . 0.0 113.055 176.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -64.01 -46.98 82.1 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 121.371 -0.83 . . . . 0.0 113.074 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.3 p -66.52 -37.45 85.07 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.47 -45.88 91.02 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.379 -1.45 . . . . 0.0 113.77 171.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.52 -49.68 29.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 O-C-N 120.381 -1.45 . . . . 0.0 114.224 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.8 t -112.27 118.41 35.19 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 123.751 1.739 . . . . 0.0 110.145 -174.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm . . . . . 0 N--CA 1.447 -0.593 0 CA-C-N 114.623 -1.172 . . . . 0.0 109.417 -169.398 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 N--CA 1.446 -0.665 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -88.98 105.55 0.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.607 0 CA-C-N 122.807 2.038 . . . . 0.0 109.329 -172.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.3 mm -61.51 -43.56 97.08 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 C-N-CA 125.26 1.424 . . . . 0.0 112.848 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.35 -44.17 97.63 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.595 1.158 . . . . 0.0 112.401 178.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.95 97.61 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 121.107 -0.996 . . . . 0.0 112.554 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 t -62.06 -42.24 98.98 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.744 -1.223 . . . . 0.0 113.605 175.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.18 -47.32 74.33 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.994 -1.066 . . . . 0.0 112.464 173.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.4 92.63 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.822 1.249 . . . . 0.0 113.5 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.54 -35.54 76.27 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 174.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -80.03 -49.98 11.03 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.924 -1.11 . . . . 0.0 112.67 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -69.09 -42.88 75.56 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.458 -1.402 . . . . 0.0 113.03 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.16 42.09 1.47 Allowed Glycine 0 C--N 1.342 0.914 0 CA-C-O 115.29 -2.95 . . . . 0.0 116.989 -167.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -59.71 -22.01 65.66 Favored 'Trans proline' 0 C--N 1.346 0.404 1 CA-C-N 126.53 5.165 . . . . 0.0 112.084 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -55.29 -45.36 76.2 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.158 2.583 . . . . 0.0 113.063 172.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.97 -40.89 78.6 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.2 -1.562 . . . . 0.0 113.14 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -62.63 -43.02 99.86 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.517 1.127 . . . . 0.0 111.976 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -60.17 -40.99 91.91 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 124.82 1.248 . . . . 0.0 113.035 175.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.16 -42.24 99.4 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.625 -1.297 . . . . 0.0 114.19 173.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 p -82.17 -56.0 6.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 O-C-N 120.278 -1.514 . . . . 0.0 114.286 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.281 12.5 t -99.03 58.23 1.12 Allowed 'General case' 0 C--N 1.354 0.774 0 CA-C-O 125.079 2.371 . . . . 0.0 111.225 -166.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm . . . . . 0 N--CA 1.451 -0.422 0 C-N-CA 126.717 2.007 . . . . 0.0 113.208 -179.359 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -56.75 118.51 5.37 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.936 2.424 . . . . 0.0 115.196 -161.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 76.1 mt -65.47 -44.26 94.26 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 124.796 1.238 . . . . 0.0 111.711 -175.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.41 -43.79 97.97 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.326 1.05 . . . . 0.0 112.801 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.58 95.15 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 121.147 -0.97 . . . . 0.0 112.555 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.3 m -62.91 -44.72 95.32 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 124.432 1.093 . . . . 0.0 113.236 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.55 -44.21 94.84 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 125.125 1.37 . . . . 0.0 112.265 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.54 99.01 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.28 1.032 . . . . 0.0 113.162 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.05 97.63 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.759 -1.213 . . . . 0.0 113.619 171.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -40.36 97.11 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 124.526 1.131 . . . . 0.0 112.947 174.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -62.45 -40.92 98.18 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 124.934 1.294 . . . . 0.0 111.889 169.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.38 155.04 6.51 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 124.597 1.094 . . . . 0.0 111.402 166.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.77 -0.6 6.32 Favored 'Trans proline' 0 C--N 1.334 -0.199 0 C-N-CA 124.952 3.768 . . . . 0.0 114.311 -167.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -27.86 -66.23 0.07 Allowed 'General case' 0 C--N 1.345 0.382 0 C-N-CA 130.792 3.637 . . . . 0.0 115.745 174.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -62.15 -44.14 97.27 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.353 1.461 . . . . 0.0 114.551 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -63.99 -42.3 97.24 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.548 1.139 . . . . 0.0 111.501 177.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.7 m -61.64 -38.51 87.96 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 125.613 1.565 . . . . 0.0 112.924 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.6 mt -65.76 -50.71 63.77 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.526 -1.359 . . . . 0.0 113.932 170.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -83.55 -48.12 17.55 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -171.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.303 13.9 t -102.94 72.8 1.21 Allowed 'General case' 0 C--N 1.351 0.632 0 CA-C-O 124.96 2.314 . . . . 0.0 110.788 -165.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.9 mttm . . . . . 0 N--CA 1.449 -0.479 0 O-C-N 120.017 -1.677 . . . . 0.0 111.879 -176.981 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -86.2 106.28 0.8 Allowed 'Trans proline' 0 N--CA 1.462 -0.364 0 CA-C-N 124.295 2.57 . . . . 0.0 110.856 -153.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.08 -44.48 95.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 126.0 1.72 . . . . 0.0 113.264 -171.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.23 -45.0 95.29 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.156 -0.965 . . . . 0.0 112.413 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.18 95.29 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 121.16 -0.963 . . . . 0.0 112.456 174.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -61.71 -42.36 98.85 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.899 -1.126 . . . . 0.0 113.506 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.07 -48.85 69.64 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.565 -1.334 . . . . 0.0 112.226 173.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.02 -39.54 92.63 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.894 1.278 . . . . 0.0 113.63 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.34 -35.97 76.87 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -85.05 -50.34 7.53 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.892 -1.13 . . . . 0.0 112.322 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -69.54 -43.27 73.33 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.43 -1.419 . . . . 0.0 113.284 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.58 45.59 1.1 Allowed Glycine 0 C--N 1.342 0.887 0 CA-C-O 115.616 -2.769 . . . . 0.0 116.528 -167.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -67.57 -12.8 36.9 Favored 'Trans proline' 0 CA--C 1.518 -0.292 1 CA-C-N 126.135 4.967 . . . . 0.0 111.451 -178.351 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -39.42 82.5 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 125.417 1.487 . . . . 0.0 113.416 167.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 pp -67.29 -41.96 84.55 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.267 -1.521 . . . . 0.0 112.789 175.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -62.15 -41.56 98.41 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 121.003 -1.061 . . . . 0.0 112.227 174.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.8 t -58.98 -40.62 85.38 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.429 -0.795 . . . . 0.0 112.98 173.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.79 -48.76 73.29 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 120.556 -1.34 . . . . 0.0 114.478 173.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.0 m -76.12 -46.6 33.58 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.274 13.8 t -104.55 56.16 0.71 Allowed 'General case' 0 C--N 1.352 0.703 0 O-C-N 119.342 -2.099 . . . . 0.0 111.558 -168.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 mttm . . . . . 0 C--N 1.348 0.506 0 O-C-N 119.437 -2.039 . . . . 0.0 112.536 172.514 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.57 83.37 1.92 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 CA-C-N 123.137 2.156 . . . . 0.0 111.355 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.2 mt -57.04 -43.14 80.61 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 125.547 1.539 . . . . 0.0 113.029 -171.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.47 -42.12 98.29 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 124.52 1.128 . . . . 0.0 113.103 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.42 -44.3 87.81 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.036 -1.04 . . . . 0.0 112.468 176.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 m -61.84 -43.09 99.54 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 124.055 0.942 . . . . 0.0 113.311 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.35 -46.27 87.33 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.038 -1.038 . . . . 0.0 112.215 175.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.2 99.02 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 121.082 -1.011 . . . . 0.0 113.36 175.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.81 99.68 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.36 1.064 . . . . 0.0 113.513 173.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -66.63 -41.85 87.66 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.493 -1.38 . . . . 0.0 113.54 172.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -68.52 -47.42 67.01 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.573 1.149 . . . . 0.0 113.57 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.34 83.88 0.07 OUTLIER Glycine 0 C--N 1.345 1.065 0 O-C-N 120.341 -1.474 . . . . 0.0 113.028 -172.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.87 -4.08 14.05 Favored 'Trans proline' 0 CA--C 1.521 -0.132 0 C-N-CA 123.939 3.092 . . . . 0.0 112.555 -171.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.23 -35.77 70.1 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.566 1.946 . . . . 0.0 112.446 172.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 pp -60.61 -41.5 94.91 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.932 -1.105 . . . . 0.0 113.649 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -64.29 -43.52 94.5 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.871 -1.143 . . . . 0.0 112.454 174.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -61.08 -42.49 98.6 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 124.115 0.966 . . . . 0.0 113.008 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.55 -44.16 97.03 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.751 -1.218 . . . . 0.0 114.016 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -76.98 -51.36 18.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 120.271 -1.518 . . . . 0.0 113.902 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 t -105.9 106.92 17.66 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 123.964 1.84 . . . . 0.0 110.521 -173.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm . . . . . 0 N--CA 1.446 -0.673 0 CA-C-N 114.273 -1.331 . . . . 0.0 111.044 -170.186 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -87.23 102.54 0.54 Allowed 'Trans proline' 0 N--CA 1.459 -0.505 0 CA-C-N 123.417 2.256 . . . . 0.0 109.51 -173.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.7 mm -60.45 -41.67 88.35 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 C-N-CA 125.378 1.471 . . . . 0.0 113.541 -169.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.99 -42.02 97.61 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 124.549 1.14 . . . . 0.0 113.142 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.27 87.16 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 121.165 -0.959 . . . . 0.0 112.479 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.5 m -62.61 -43.26 99.24 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.103 0.961 . . . . 0.0 113.474 175.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.2 -46.36 87.43 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 124.262 1.025 . . . . 0.0 112.107 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.74 98.55 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 121.115 -0.991 . . . . 0.0 113.18 175.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.47 99.76 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 173.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -42.45 82.07 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.401 -1.437 . . . . 0.0 113.051 174.073 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -67.76 -47.07 70.24 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.523 -1.361 . . . . 0.0 113.693 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.42 82.7 0.08 OUTLIER Glycine 0 C--N 1.345 1.051 0 O-C-N 120.157 -1.589 . . . . 0.0 113.46 -171.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.49 -4.24 14.11 Favored 'Trans proline' 0 C--N 1.336 -0.113 0 C-N-CA 124.009 3.139 . . . . 0.0 112.41 -171.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -36.84 69.79 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.606 1.962 . . . . 0.0 112.454 172.076 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.38 -42.83 99.34 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 120.842 -1.161 . . . . 0.0 113.714 176.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -64.55 -42.3 95.78 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.822 -1.174 . . . . 0.0 112.444 173.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.4 t -60.11 -43.25 95.74 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 124.292 1.037 . . . . 0.0 112.864 177.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.65 -44.13 97.54 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 m -79.29 -54.05 12.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 O-C-N 120.181 -1.574 . . . . 0.0 113.448 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -104.75 60.73 0.7 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 123.979 1.847 . . . . 0.0 109.866 -170.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm . . . . . 0 N--CA 1.451 -0.404 0 C-N-CA 126.848 2.059 . . . . 0.0 113.668 -179.844 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 N--CA 1.443 -0.811 0 CA-C-O 121.33 0.586 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mp -143.18 162.48 42.76 Favored Pre-proline 0 N--CA 1.446 -0.629 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 -175.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -88.13 103.93 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.473 0 CA-C-N 123.313 2.219 . . . . 0.0 109.513 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.55 -41.99 89.84 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 C-N-CA 125.503 1.521 . . . . 0.0 113.081 -170.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.07 -42.25 98.14 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 124.632 1.173 . . . . 0.0 112.748 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.07 90.96 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 121.215 -0.928 . . . . 0.0 112.581 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.5 m -62.35 -43.32 99.09 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.51 -45.52 90.29 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.886 -1.134 . . . . 0.0 111.963 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.53 99.0 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.082 0.953 . . . . 0.0 112.901 174.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.61 99.09 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.626 -1.296 . . . . 0.0 114.407 173.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -70.39 -45.45 65.97 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.401 -1.437 . . . . 0.0 113.74 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -83.15 -44.32 15.21 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.195 -1.566 . . . . 0.0 113.164 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.14 53.49 0.63 Allowed Glycine 0 C--N 1.34 0.801 0 CA-C-O 116.522 -2.265 . . . . 0.0 116.212 -162.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -68.45 -6.88 18.71 Favored 'Trans proline' 0 N--CA 1.472 0.21 1 CA-C-N 124.301 4.051 . . . . 0.0 110.906 177.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -54.58 -43.84 72.47 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 129.336 3.054 . . . . 0.0 111.966 166.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 pp -67.36 -41.77 84.54 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 120.559 -1.338 . . . . 0.0 113.125 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -62.37 -43.13 99.53 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 121.147 -0.971 . . . . 0.0 111.881 174.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.6 m -59.41 -40.53 86.95 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 124.791 1.236 . . . . 0.0 113.115 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.84 -43.36 99.01 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.7 -1.25 . . . . 0.0 114.186 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -85.47 -56.22 5.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 O-C-N 120.529 -1.357 . . . . 0.0 114.186 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 t -96.71 56.13 1.46 Allowed 'General case' 0 C--N 1.352 0.698 0 CA-C-O 124.363 2.03 . . . . 0.0 111.311 -165.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -60.98 -36.3 79.07 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.45 1.9 . . . . 0.0 114.046 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -66.27 -42.11 88.91 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 121.001 -1.062 . . . . 0.0 113.815 172.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 CA--C 1.507 -0.692 0 O-C-N 121.392 -0.818 . . . . 0.0 109.368 -171.443 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.6 p90 . . . . . 0 N--CA 1.442 -0.852 0 CA-C-O 121.37 0.605 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp -122.78 143.55 40.52 Favored Pre-proline 0 N--CA 1.449 -0.505 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 176.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -56.46 117.96 4.71 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.742 2.295 . . . . 0.0 114.236 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.99 -43.88 92.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 C-N-CA 124.693 1.197 . . . . 0.0 111.749 -175.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.06 -43.59 98.66 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.809 1.243 . . . . 0.0 112.384 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.65 95.89 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 121.092 -1.005 . . . . 0.0 112.847 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.8 t -61.6 -42.8 99.38 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.957 -1.089 . . . . 0.0 113.217 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -67.77 -51.85 44.13 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 120.811 -1.181 . . . . 0.0 112.341 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.49 -42.81 91.74 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -175.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.92 -16.46 60.02 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.267 -1.521 . . . . 0.0 113.046 -178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -90.82 -52.63 4.77 Favored 'General case' 0 N--CA 1.447 -0.625 0 O-C-N 121.021 -1.049 . . . . 0.0 111.991 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -73.97 -45.12 52.14 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.045 -1.66 . . . . 0.0 112.754 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.81 42.17 1.45 Allowed Glycine 0 C--N 1.343 0.929 0 CA-C-O 115.424 -2.876 . . . . 0.0 116.805 -165.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -68.01 -8.85 23.86 Favored 'Trans proline' 0 C--N 1.345 0.393 1 CA-C-N 126.308 5.054 . . . . 0.0 111.965 -175.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -56.94 -42.3 79.79 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 127.218 2.207 . . . . 0.0 112.079 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.72 -41.02 92.77 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 120.72 -1.238 . . . . 0.0 113.142 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -62.84 -43.63 98.27 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 121.062 -1.024 . . . . 0.0 112.035 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -59.56 -40.22 86.6 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 123.961 0.905 . . . . 0.0 113.383 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.23 -44.53 94.99 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.598 -1.314 . . . . 0.0 114.092 173.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.96 -45.49 22.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 120.159 -1.588 . . . . 0.0 114.908 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -91.41 13.4 17.64 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -152.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -33.43 -21.5 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.546 1 N-CA-C 122.104 4.113 . . . . 0.0 122.104 -170.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -101.16 -1.09 34.81 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 120.251 -1.531 . . . . 0.0 110.635 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 CA--C 1.512 -0.489 0 C-N-CA 125.179 1.391 . . . . 0.0 109.879 177.067 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.8 p90 . . . . . 0 N--CA 1.443 -0.823 0 CA-C-O 121.365 0.603 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -132.75 144.56 53.41 Favored Pre-proline 0 N--CA 1.448 -0.567 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -57.43 117.31 3.99 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 CA-C-N 123.505 2.288 . . . . 0.0 114.111 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.08 -45.73 82.86 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 C-N-CA 124.0 0.92 . . . . 0.0 111.87 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.19 -44.42 96.64 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.432 1.093 . . . . 0.0 112.654 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.54 96.7 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 121.137 -0.977 . . . . 0.0 112.715 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -62.61 -43.07 99.73 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 121.016 -1.052 . . . . 0.0 113.249 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.16 -49.34 65.1 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 124.065 0.946 . . . . 0.0 112.864 175.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.73 91.23 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 124.688 1.195 . . . . 0.0 113.73 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.36 -16.73 63.01 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -92.59 -54.19 3.88 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.804 -1.185 . . . . 0.0 110.745 170.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -66.65 -43.65 84.03 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.682 1.193 . . . . 0.0 114.177 -174.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.72 54.64 0.52 Allowed Glycine 0 C--N 1.345 1.048 0 CA-C-O 117.086 -1.952 . . . . 0.0 114.898 -173.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -67.88 -8.01 21.29 Favored 'Trans proline' 0 CA--C 1.517 -0.355 0 CA-C-N 123.934 3.867 . . . . 0.0 112.728 -172.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -58.68 -38.73 78.84 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 127.171 2.189 . . . . 0.0 112.0 175.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.02 -39.0 90.77 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -177.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -62.4 -45.45 93.08 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 121.086 -1.008 . . . . 0.0 112.191 178.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 m -61.65 -39.87 92.9 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.475 1.11 . . . . 0.0 113.24 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.43 -43.5 97.27 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.858 -1.151 . . . . 0.0 113.93 174.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -85.18 -56.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 O-C-N 120.512 -1.368 . . . . 0.0 114.068 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.262 14.2 t -101.34 58.54 0.87 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-O 125.016 2.341 . . . . 0.0 111.082 -164.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -64.11 -22.04 66.78 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 126.571 1.948 . . . . 0.0 114.328 -174.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -40.27 91.2 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 121.074 -1.016 . . . . 0.0 111.927 171.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 CA--C 1.507 -0.706 0 O-C-N 121.008 -1.058 . . . . 0.0 109.588 -170.938 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 N--CA 1.442 -0.827 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -143.72 145.83 32.55 Favored Pre-proline 0 N--CA 1.451 -0.38 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 -174.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -57.73 118.69 5.6 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.59 2.193 . . . . 0.0 114.325 177.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.3 mt -66.1 -44.28 91.92 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 C-N-CA 124.519 1.128 . . . . 0.0 111.781 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.34 -44.18 97.61 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.759 1.224 . . . . 0.0 112.591 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.96 98.62 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.082 -1.011 . . . . 0.0 112.748 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 t -62.27 -42.89 99.74 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.926 -1.109 . . . . 0.0 113.357 176.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.81 -48.44 68.96 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.158 0.983 . . . . 0.0 112.652 174.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.13 91.41 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 124.932 1.293 . . . . 0.0 113.491 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.44 -15.83 63.36 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -94.26 -57.82 2.4 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.758 -1.214 . . . . 0.0 110.844 172.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -68.39 -44.02 76.03 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.472 -1.393 . . . . 0.0 113.412 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.16 36.48 2.25 Favored Glycine 0 C--N 1.345 1.032 0 CA-C-O 114.497 -3.39 . . . . 0.0 117.838 -167.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.41 -12.21 33.04 Favored 'Trans proline' 0 C--N 1.346 0.401 1 CA-C-N 127.772 5.786 . . . . 0.0 111.587 -173.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -55.59 -39.69 71.06 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 128.28 2.632 . . . . 0.0 112.251 170.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.46 -38.32 87.07 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 120.606 -1.309 . . . . 0.0 113.4 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -62.9 -44.83 95.04 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 121.16 -0.962 . . . . 0.0 112.09 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.4 m -59.63 -38.8 82.33 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.78 -43.67 95.67 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.729 -1.232 . . . . 0.0 114.155 173.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.6 p -82.59 -53.21 12.2 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 O-C-N 120.209 -1.557 . . . . 0.0 114.178 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 t -101.94 63.48 0.92 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-O 124.341 2.02 . . . . 0.0 110.12 -168.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -61.03 -32.78 72.39 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 126.516 1.926 . . . . 0.0 114.203 -173.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.27 101.33 5.95 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 168.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.238 0.476 0 O-C-N 121.155 -0.966 . . . . 0.0 113.144 -175.93 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 . . . . . 0 N--CA 1.444 -0.766 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp -143.4 162.12 43.92 Favored Pre-proline 0 N--CA 1.449 -0.477 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -172.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -88.58 104.66 0.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 CA-C-N 122.784 2.03 . . . . 0.0 109.613 -171.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.1 mt -61.57 -43.81 97.58 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 125.355 1.462 . . . . 0.0 112.595 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.27 -42.25 98.32 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.319 1.048 . . . . 0.0 112.989 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.42 -43.63 93.73 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 121.069 -1.019 . . . . 0.0 112.846 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.3 t -63.75 -44.06 94.59 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 121.279 -0.888 . . . . 0.0 113.231 175.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.53 -47.08 85.49 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.537 1.135 . . . . 0.0 112.167 175.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.28 92.04 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.34 1.056 . . . . 0.0 113.399 175.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.25 97.22 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 174.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -73.04 -46.55 51.24 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.642 -1.286 . . . . 0.0 114.374 169.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -68.4 -43.2 77.78 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.33 66.51 0.29 Allowed Glycine 0 C--N 1.344 0.996 0 O-C-N 120.212 -1.555 . . . . 0.0 113.793 -173.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.77 -6.09 17.11 Favored 'Trans proline' 0 C--O 1.234 0.279 0 CA-C-N 122.602 3.201 . . . . 0.0 112.234 -174.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -73.78 -22.53 59.8 Favored 'General case' 0 N--CA 1.439 -1.019 0 O-C-N 120.828 -1.17 . . . . 0.0 113.517 170.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 pp -63.58 -43.03 98.19 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 120.903 1.683 . . . . 0.0 112.345 173.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -62.53 -42.25 99.4 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 124.419 1.088 . . . . 0.0 111.939 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 m -59.94 -41.16 91.23 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 123.8 0.84 . . . . 0.0 112.896 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.13 -44.4 88.8 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 174.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.6 p -84.48 -54.5 8.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.457 -1.402 . . . . 0.0 114.133 -175.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -98.64 65.58 1.59 Allowed 'General case' 0 C--N 1.353 0.721 0 CA-C-O 123.663 1.696 . . . . 0.0 110.376 -165.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -74.74 -15.45 60.77 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.467 1.507 . . . . 0.0 114.51 -173.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.1 129.81 50.96 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 167.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.3 t . . . . . 0 CA--C 1.508 -0.649 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 178.27 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 . . . . . 0 N--CA 1.443 -0.808 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -144.26 146.89 35.05 Favored Pre-proline 0 N--CA 1.449 -0.496 0 N-CA-C 105.523 -2.029 . . . . 0.0 105.523 -174.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -58.37 118.2 5.05 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 CA-C-N 123.01 2.111 . . . . 0.0 113.905 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.8 mt -67.95 -45.26 84.13 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 C-N-CA 123.868 0.867 . . . . 0.0 111.961 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.87 -43.68 98.13 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.245 1.018 . . . . 0.0 113.097 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.0 98.07 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 121.164 -0.96 . . . . 0.0 112.626 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.5 m -62.92 -44.31 96.42 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.13 0.972 . . . . 0.0 113.087 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.43 -44.56 94.2 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.026 1.33 . . . . 0.0 112.473 175.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.66 97.88 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.599 1.16 . . . . 0.0 113.284 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.73 98.92 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 120.727 -1.233 . . . . 0.0 113.648 170.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -40.36 96.46 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.764 -1.21 . . . . 0.0 113.096 175.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.88 -40.76 96.51 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 125.378 1.471 . . . . 0.0 111.691 168.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.82 149.19 8.16 Favored Glycine 0 C--N 1.34 0.762 0 C-N-CA 126.152 1.834 . . . . 0.0 110.858 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -70.17 -2.31 10.25 Favored 'Trans proline' 0 C--N 1.332 -0.294 0 C-N-CA 124.508 3.472 . . . . 0.0 115.634 -157.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -33.88 -52.27 0.43 Allowed 'General case' 0 C--N 1.348 0.526 0 C-N-CA 129.194 2.998 . . . . 0.0 116.093 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -62.04 -43.39 98.95 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 125.06 1.344 . . . . 0.0 114.312 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -66.42 -44.78 82.0 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.327 1.051 . . . . 0.0 111.61 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.0 m -60.03 -39.36 85.64 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.62 1.168 . . . . 0.0 113.375 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.45 -43.85 97.82 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.1 p -88.96 -57.68 4.06 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 O-C-N 120.633 -1.292 . . . . 0.0 113.979 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.261 11.7 t -95.14 61.61 2.45 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 125.165 2.412 . . . . 0.0 111.49 -163.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -73.61 -13.72 61.06 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 120.095 -1.628 . . . . 0.0 112.602 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -79.47 -21.29 45.62 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.948 -1.095 . . . . 0.0 113.097 173.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.35 0.611 0 O-C-N 120.668 -1.27 . . . . 0.0 109.998 179.366 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 . . . . . 0 N--CA 1.443 -0.784 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mp -143.66 157.1 59.3 Favored Pre-proline 0 N--CA 1.45 -0.446 0 O-C-N 120.424 -1.422 . . . . 0.0 107.55 -172.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -73.16 84.98 1.27 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.504 2.136 . . . . 0.0 110.836 168.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.4 mt -57.29 -40.58 74.76 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 125.553 1.541 . . . . 0.0 113.113 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.54 -41.69 94.99 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.896 -1.127 . . . . 0.0 113.137 177.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.69 89.87 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.948 -1.095 . . . . 0.0 112.498 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.0 m -62.3 -42.99 99.82 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.124 -0.985 . . . . 0.0 113.432 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.04 -46.71 86.26 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 124.659 1.183 . . . . 0.0 112.158 175.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.55 98.45 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 124.302 1.041 . . . . 0.0 113.281 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.29 98.75 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -44.42 74.81 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.646 -1.284 . . . . 0.0 113.071 173.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -67.4 -46.29 73.66 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.673 1.189 . . . . 0.0 114.04 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.67 79.22 0.09 OUTLIER Glycine 0 C--N 1.345 1.04 0 O-C-N 120.205 -1.56 . . . . 0.0 113.463 -171.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -69.94 -4.16 13.59 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 124.113 3.209 . . . . 0.0 112.119 -174.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -57.59 -37.78 73.79 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.167 1.787 . . . . 0.0 112.472 169.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.01 -43.24 99.27 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.788 -1.195 . . . . 0.0 113.838 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -64.53 -43.16 94.9 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.896 -1.127 . . . . 0.0 112.13 172.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.9 m -60.32 -39.69 87.95 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 125.17 1.388 . . . . 0.0 113.27 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.32 -43.33 99.08 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.79 -1.194 . . . . 0.0 113.992 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.3 p -84.08 -54.95 7.81 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 O-C-N 120.532 -1.355 . . . . 0.0 113.591 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.274 14.9 t -102.24 64.1 0.91 Allowed 'General case' 0 C--N 1.351 0.672 0 CA-C-O 124.824 2.25 . . . . 0.0 110.976 -166.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -61.57 -41.66 97.72 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 126.0 1.72 . . . . 0.0 113.099 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -117.84 102.04 8.78 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 169.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.4 t . . . . . 0 C--O 1.239 0.503 0 O-C-N 121.656 -0.653 . . . . 0.0 112.043 -178.844 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 . . . . . 0 N--CA 1.443 -0.809 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp -143.91 160.8 48.65 Favored Pre-proline 0 N--CA 1.448 -0.531 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -88.78 104.43 0.43 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 CA-C-N 122.61 1.968 . . . . 0.0 109.451 -173.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.6 mm -61.96 -43.53 97.66 Favored 'Isoleucine or valine' 0 C--N 1.347 0.471 0 C-N-CA 125.183 1.393 . . . . 0.0 113.152 -173.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.01 -42.94 99.41 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 120.986 -1.071 . . . . 0.0 112.711 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.47 96.4 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 121.047 -1.033 . . . . 0.0 112.776 174.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.7 t -63.18 -44.09 96.4 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 121.039 -1.038 . . . . 0.0 113.509 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.81 -45.62 91.78 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.825 -1.172 . . . . 0.0 112.064 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.6 -41.58 97.65 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.215 1.006 . . . . 0.0 113.068 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.07 -39.1 88.6 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -74.96 -49.25 20.68 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.287 -1.508 . . . . 0.0 114.125 171.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -75.65 -45.72 35.55 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.184 -1.572 . . . . 0.0 113.29 -173.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.64 52.03 0.7 Allowed Glycine 0 C--N 1.34 0.803 0 CA-C-O 116.615 -2.214 . . . . 0.0 115.711 -167.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -69.08 -8.86 24.76 Favored 'Trans proline' 0 C--N 1.345 0.394 1 CA-C-N 124.407 4.103 . . . . 0.0 110.136 174.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -48.19 -50.86 27.62 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 130.235 3.414 . . . . 0.0 111.584 165.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -67.52 -39.18 85.1 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 120.622 -1.299 . . . . 0.0 113.319 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.79 -43.67 98.39 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 121.198 -0.939 . . . . 0.0 112.102 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.8 p -59.67 -39.75 85.51 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.37 -42.77 98.89 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.931 -1.106 . . . . 0.0 113.879 174.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.7 p -85.32 -57.54 4.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 120.466 -1.396 . . . . 0.0 113.99 -177.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.6 t -94.69 55.24 1.88 Allowed 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.104 -1.623 . . . . 0.0 111.527 -166.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -61.66 -39.68 92.24 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 126.811 2.044 . . . . 0.0 112.977 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -143.95 132.22 21.95 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 172.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 C--N 1.35 0.63 0 O-C-N 121.375 -0.828 . . . . 0.0 111.364 179.448 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 . . . . . 0 N--CA 1.443 -0.806 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp -143.21 161.97 45.24 Favored Pre-proline 0 N--CA 1.448 -0.538 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 -173.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -88.21 105.72 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.58 0 CA-C-N 122.618 1.971 . . . . 0.0 109.523 -171.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 mm -61.25 -43.09 95.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 125.419 1.488 . . . . 0.0 112.906 -174.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.21 -44.16 97.72 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 124.432 1.093 . . . . 0.0 112.48 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.86 95.71 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 121.01 -1.056 . . . . 0.0 112.69 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -60.88 -42.67 98.4 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.97 -1.081 . . . . 0.0 113.178 175.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 tp -67.58 -50.95 55.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.578 -1.326 . . . . 0.0 113.082 173.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.37 89.89 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.58 -15.58 59.15 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.625 -1.297 . . . . 0.0 112.998 -178.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -87.96 -48.67 7.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 121.1 -1.0 . . . . 0.0 112.077 173.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -68.83 -43.12 76.2 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.231 -1.543 . . . . 0.0 112.572 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.16 58.62 0.69 Allowed Glycine 0 C--N 1.342 0.886 0 CA-C-O 116.589 -2.228 . . . . 0.0 115.04 -171.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -58.21 -20.83 48.82 Favored 'Trans proline' 0 C--N 1.343 0.252 0 CA-C-N 124.171 3.986 . . . . 0.0 111.865 168.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -54.02 -44.39 70.91 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 127.613 2.365 . . . . 0.0 113.38 171.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -67.8 -39.94 83.93 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 120.183 -1.573 . . . . 0.0 113.008 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -62.82 -43.58 98.43 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 124.609 1.164 . . . . 0.0 111.955 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.6 t -59.6 -42.61 92.98 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.145 0.978 . . . . 0.0 112.881 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.28 -43.12 99.56 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.558 -1.339 . . . . 0.0 114.373 174.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 p -85.35 -56.01 6.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 120.364 -1.46 . . . . 0.0 114.565 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.254 9.6 t -98.28 62.77 1.51 Allowed 'General case' 0 C--N 1.351 0.671 0 CA-C-O 125.003 2.335 . . . . 0.0 111.273 -163.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -73.91 -13.35 60.89 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 120.217 -1.552 . . . . 0.0 113.779 -174.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -116.71 13.79 15.22 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.948 -1.095 . . . . 0.0 112.057 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 CA--C 1.51 -0.565 0 O-C-N 119.919 -1.738 . . . . 0.0 110.651 177.815 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 49.9 p90 . . . . . 0 N--CA 1.441 -0.894 0 CA-C-O 121.41 0.624 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -143.81 156.36 59.18 Favored Pre-proline 0 N--CA 1.447 -0.604 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.12 84.04 1.74 Allowed 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.541 2.16 . . . . 0.0 111.383 175.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.0 mm -59.74 -45.49 94.5 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 124.911 1.284 . . . . 0.0 113.553 -172.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.05 -44.01 97.6 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 124.142 0.977 . . . . 0.0 112.875 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.88 97.28 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 121.05 -1.031 . . . . 0.0 112.485 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 t -63.66 -43.69 95.99 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.599 -1.313 . . . . 0.0 113.297 174.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.27 -46.02 90.67 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 124.993 1.317 . . . . 0.0 112.166 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.74 -37.51 79.16 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 124.431 1.092 . . . . 0.0 112.572 174.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.03 -11.24 60.27 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.21 -54.16 4.23 Favored 'General case' 0 C--N 1.355 0.804 0 O-C-N 120.132 -1.605 . . . . 0.0 109.49 163.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.87 -43.78 91.82 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -171.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.47 57.97 0.47 Allowed Glycine 0 C--N 1.344 0.983 0 CA-C-O 117.241 -1.866 . . . . 0.0 114.395 -175.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.81 -7.64 18.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 CA-C-N 124.012 3.906 . . . . 0.0 112.48 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -58.06 -41.28 83.02 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 126.56 1.944 . . . . 0.0 111.995 169.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -63.64 -40.81 97.81 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 120.816 -1.178 . . . . 0.0 113.605 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -63.05 -44.07 96.87 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 121.165 -0.96 . . . . 0.0 112.193 175.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -62.25 -41.07 98.11 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.43 1.092 . . . . 0.0 113.111 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.08 -44.18 96.46 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.268 -1.52 . . . . 0.0 114.069 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.18 -51.31 16.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 O-C-N 120.55 -1.344 . . . . 0.0 114.361 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -112.74 124.53 52.79 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 119.451 -2.031 . . . . 0.0 110.607 -169.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -147.7 0.29 0.66 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.917 -163.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.283 45.7 tttp 42.74 48.65 4.89 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 126.627 1.971 . . . . 0.0 115.34 -167.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 CA--C 1.513 -0.444 0 O-C-N 119.983 -1.698 . . . . 0.0 111.453 -177.965 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 N--CA 1.442 -0.834 0 CA-C-O 121.393 0.616 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -143.71 148.42 42.91 Favored Pre-proline 0 N--CA 1.447 -0.603 0 N-CA-C 104.366 -2.457 . . . . 0.0 104.366 -178.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -57.31 118.28 5.12 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.643 2.228 . . . . 0.0 114.352 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.09 -44.12 91.99 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 C-N-CA 124.342 1.057 . . . . 0.0 112.222 -176.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.61 -43.79 98.2 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.855 1.262 . . . . 0.0 112.415 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.98 98.53 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.247 -0.908 . . . . 0.0 112.664 174.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -62.75 -42.15 99.54 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.877 -1.139 . . . . 0.0 113.648 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.02 -47.29 74.9 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 121.127 -0.983 . . . . 0.0 112.542 174.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.36 95.29 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 124.785 1.234 . . . . 0.0 113.375 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.03 -34.87 73.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 175.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -83.41 -52.81 6.2 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 120.787 -1.195 . . . . 0.0 112.397 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -73.01 -46.08 54.12 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.297 -1.502 . . . . 0.0 113.024 -174.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.3 40.5 1.63 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-O 115.302 -2.943 . . . . 0.0 116.66 -166.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -69.44 -10.42 28.78 Favored 'Trans proline' 0 CA--C 1.515 -0.472 1 CA-C-N 126.451 5.126 . . . . 0.0 111.394 -175.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -56.82 -39.76 74.76 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 127.413 2.285 . . . . 0.0 112.116 171.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.28 -39.18 89.24 Favored 'General case' 0 C--N 1.356 0.878 0 O-C-N 120.831 -1.168 . . . . 0.0 113.199 175.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -62.61 -44.38 96.44 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 121.103 -0.998 . . . . 0.0 112.082 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.5 m -59.26 -38.77 80.9 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.3 -45.38 88.19 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.594 -1.317 . . . . 0.0 114.248 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.9 m -82.68 -51.81 14.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 O-C-N 120.269 -1.519 . . . . 0.0 114.569 -176.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.27 11.3 t -98.78 60.28 1.26 Allowed 'General case' 0 C--N 1.352 0.694 0 CA-C-O 124.643 2.163 . . . . 0.0 111.633 -164.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -59.84 -30.92 69.28 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 126.388 1.875 . . . . 0.0 113.375 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -95.01 -3.51 48.25 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.354 1.062 . . . . 0.0 112.352 -173.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.35 0.598 0 O-C-N 119.917 -1.74 . . . . 0.0 111.215 178.844 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 N--CA 1.443 -0.807 0 CA-C-O 121.27 0.557 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -143.77 147.05 37.23 Favored Pre-proline 0 N--CA 1.447 -0.585 0 N-CA-C 104.778 -2.304 . . . . 0.0 104.778 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -57.69 118.18 5.01 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.674 2.249 . . . . 0.0 114.47 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.91 -44.97 88.44 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 C-N-CA 124.379 1.072 . . . . 0.0 111.939 -177.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.8 -44.43 96.88 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 124.537 1.135 . . . . 0.0 112.611 -178.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.06 98.27 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.113 -0.992 . . . . 0.0 112.755 174.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 t -62.15 -43.32 99.09 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.972 -1.08 . . . . 0.0 113.275 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.3 tp -67.0 -47.54 71.19 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 121.196 -0.94 . . . . 0.0 113.37 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.55 95.66 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.739 1.216 . . . . 0.0 113.266 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.82 -16.16 63.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -91.84 -54.87 3.68 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 120.769 -1.207 . . . . 0.0 111.058 171.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -67.43 -43.9 80.04 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.554 -1.341 . . . . 0.0 113.359 -176.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.54 52.59 0.59 Allowed Glycine 0 C--N 1.343 0.964 0 CA-C-O 116.138 -2.479 . . . . 0.0 115.888 -170.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -60.03 -22.14 68.08 Favored 'Trans proline' 0 C--N 1.346 0.408 1 CA-C-N 124.628 4.214 . . . . 0.0 111.426 173.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' H ' ' HG3' ' A' ' 15' ' ' LYS . 44.3 mttt -37.45 -48.43 0.96 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 130.807 3.643 . . . . 0.0 113.881 163.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.0 -39.02 83.32 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.688 -1.258 . . . . 0.0 113.617 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -63.32 -43.87 96.57 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.967 -1.083 . . . . 0.0 111.804 177.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 m -59.7 -38.95 82.99 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.277 1.031 . . . . 0.0 113.459 175.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.11 -43.05 99.51 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.68 -1.262 . . . . 0.0 113.963 172.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.5 m -83.24 -54.89 8.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.674 0 O-C-N 120.535 -1.353 . . . . 0.0 114.379 -177.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.29 7.9 t -97.41 56.94 1.37 Allowed 'General case' 0 C--N 1.354 0.803 0 CA-C-O 125.32 2.486 . . . . 0.0 111.635 -164.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -62.74 -38.24 89.75 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.925 2.09 . . . . 0.0 113.055 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.25 106.58 14.51 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 104.261 -2.496 . . . . 0.0 104.261 165.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 t . . . . . 0 C--N 1.345 0.405 0 CA-C-O 121.915 0.864 . . . . 0.0 112.106 -177.486 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 . . . . . 0 N--CA 1.445 -0.72 0 CA-C-O 122.074 0.94 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.7 mp -121.07 154.48 58.19 Favored Pre-proline 0 N--CA 1.448 -0.545 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -87.35 106.36 0.63 Allowed 'Trans proline' 0 N--CA 1.459 -0.525 0 CA-C-N 122.968 2.096 . . . . 0.0 110.436 -155.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.1 mt -60.71 -43.16 94.48 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 C-N-CA 126.068 1.747 . . . . 0.0 112.376 -175.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.29 -43.69 98.45 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 124.505 1.122 . . . . 0.0 112.422 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.31 96.88 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.062 -1.024 . . . . 0.0 112.646 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 t -62.57 -42.01 99.29 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.641 -1.287 . . . . 0.0 113.791 174.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.91 -46.42 81.76 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.54 1.136 . . . . 0.0 112.061 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.29 90.5 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.042 1.337 . . . . 0.0 113.278 176.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.09 -33.67 72.42 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.485 -1.384 . . . . 0.0 114.624 174.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -87.41 -56.5 3.34 Favored 'General case' 0 C--N 1.347 0.463 0 O-C-N 120.879 -1.138 . . . . 0.0 112.709 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -78.41 -44.73 24.08 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 119.882 -1.761 . . . . 0.0 111.905 -175.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.53 19.67 36.08 Favored Glycine 0 C--N 1.34 0.805 1 CA-C-O 113.303 -4.054 . . . . 0.0 119.477 -167.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.75 -6.79 19.43 Favored 'Trans proline' 0 C--N 1.351 0.687 1 CA-C-N 130.089 6.945 . . . . 0.0 110.984 -174.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' HG2' ' H ' ' A' ' 15' ' ' LYS . 5.6 mmtp -53.93 -47.08 71.59 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 128.675 2.79 . . . . 0.0 111.089 165.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.71 -40.02 76.54 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.703 -1.248 . . . . 0.0 113.154 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.56 -42.97 99.62 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.968 -1.082 . . . . 0.0 111.806 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -60.93 -38.29 85.29 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.312 1.445 . . . . 0.0 113.26 174.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.55 -41.71 99.08 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.509 -1.369 . . . . 0.0 113.805 171.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.669 HG13 ' H ' ' A' ' 21' ' ' THR 0.294 9.6 p -86.18 -102.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 119.533 1.061 . . . . 0.0 113.248 178.011 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.669 ' H ' HG13 ' A' ' 20' ' ' VAL . 7.4 t -67.71 141.65 56.56 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 119.656 -1.902 . . . . 0.0 115.127 -170.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -147.61 11.02 0.97 Allowed 'General case' 0 C--N 1.349 0.55 0 O-C-N 121.044 -1.035 . . . . 0.0 109.352 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.279 0.0 OUTLIER 51.68 49.73 20.22 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 123.665 1.698 . . . . 0.0 114.22 -169.765 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.238 0.452 0 O-C-N 119.68 -1.888 . . . . 0.0 112.402 175.534 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 . . . . . 0 N--CA 1.445 -0.697 0 CA-C-O 121.923 0.868 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.08 126.81 26.47 Favored Pre-proline 0 N--CA 1.448 -0.574 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 173.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -57.13 118.8 5.73 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 123.156 2.57 . . . . 0.0 115.366 -163.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.46 -44.52 94.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 C-N-CA 124.835 1.254 . . . . 0.0 112.041 -175.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.88 -44.5 96.67 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.551 1.14 . . . . 0.0 112.11 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.16 98.07 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 121.272 -0.892 . . . . 0.0 112.689 174.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -61.86 -42.61 99.26 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.74 -1.225 . . . . 0.0 113.593 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.24 -48.61 69.95 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.525 -1.359 . . . . 0.0 112.406 173.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.07 85.78 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.196 1.399 . . . . 0.0 113.741 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.3 -31.43 69.13 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 120.486 -1.384 . . . . 0.0 114.581 174.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -90.98 -55.88 3.39 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.719 -1.238 . . . . 0.0 111.864 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -72.99 -47.7 42.94 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.018 -1.676 . . . . 0.0 112.476 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.98 18.0 40.62 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-O 113.939 -3.701 . . . . 0.0 119.565 -169.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -70.24 -7.16 20.54 Favored 'Trans proline' 0 C--N 1.35 0.636 1 CA-C-N 129.746 6.773 . . . . 0.0 110.712 -175.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 15' ' ' LYS . 13.6 mmtm -57.57 -47.16 82.85 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 127.805 2.442 . . . . 0.0 111.123 169.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -76.01 -36.88 58.98 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 120.996 -1.065 . . . . 0.0 112.484 176.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -59.67 -40.03 86.43 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 121.013 -1.054 . . . . 0.0 112.197 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.6 t -56.86 -40.22 75.72 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 121.309 -0.869 . . . . 0.0 113.193 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.81 -48.8 70.5 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.1 p -73.61 -38.71 52.51 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -87.41 16.7 5.1 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.031 -2.293 . . . . 0.0 113.498 -162.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -70.82 -14.85 62.56 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 118.79 -2.444 . . . . 0.0 114.879 -174.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -100.39 13.27 35.03 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.112 -0.992 . . . . 0.0 111.839 172.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.349 0.556 0 O-C-N 120.649 -1.282 . . . . 0.0 111.09 175.736 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -159.25 163.89 22.34 Favored Pre-proline 0 N--CA 1.445 -0.682 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -172.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -89.04 103.35 0.39 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 CA-C-N 122.581 1.958 . . . . 0.0 108.193 -177.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.49 -44.21 98.67 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 C-N-CA 124.793 1.237 . . . . 0.0 112.546 -173.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.36 -43.98 97.54 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 121.078 -1.014 . . . . 0.0 112.741 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.84 97.0 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 121.094 -1.004 . . . . 0.0 112.644 174.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.6 m -62.91 -43.38 98.95 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.516 1.127 . . . . 0.0 113.47 176.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.55 -46.2 83.83 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.546 1.139 . . . . 0.0 112.021 173.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.49 87.21 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.772 1.229 . . . . 0.0 113.205 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.13 81.79 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -80.1 -49.93 11.04 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.238 -1.539 . . . . 0.0 113.635 170.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -72.39 -47.05 52.37 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.163 -1.586 . . . . 0.0 113.552 -172.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.81 42.75 1.32 Allowed Glycine 0 C--N 1.339 0.709 0 CA-C-O 115.372 -2.904 . . . . 0.0 116.36 -166.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -70.13 -10.19 27.7 Favored 'Trans proline' 0 CA--C 1.516 -0.388 1 CA-C-N 126.398 5.099 . . . . 0.0 111.37 -173.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -57.98 -38.06 75.36 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 127.838 2.455 . . . . 0.0 112.271 170.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.88 -38.73 89.55 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.227 -1.545 . . . . 0.0 113.055 176.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -64.01 -46.98 82.1 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 121.371 -0.83 . . . . 0.0 113.074 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.3 p -66.52 -37.45 85.07 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.47 -45.88 91.02 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.379 -1.45 . . . . 0.0 113.77 171.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.52 -49.68 29.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 O-C-N 120.381 -1.45 . . . . 0.0 114.224 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.8 t -112.27 118.41 35.19 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 123.751 1.739 . . . . 0.0 110.145 -174.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -120.03 15.43 12.43 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.623 -1.172 . . . . 0.0 109.417 -169.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -117.42 17.54 14.56 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.328 -0.858 . . . . 0.0 109.701 172.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.509 -0.613 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.788 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 . . . . . 0 N--CA 1.442 -0.866 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -161.2 164.33 18.87 Favored Pre-proline 0 N--CA 1.446 -0.665 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -88.98 105.55 0.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.607 0 CA-C-N 122.807 2.038 . . . . 0.0 109.329 -172.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.3 mm -61.51 -43.56 97.08 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 C-N-CA 125.26 1.424 . . . . 0.0 112.848 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.35 -44.17 97.63 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.595 1.158 . . . . 0.0 112.401 178.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.95 97.61 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 121.107 -0.996 . . . . 0.0 112.554 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 t -62.06 -42.24 98.98 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.744 -1.223 . . . . 0.0 113.605 175.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.18 -47.32 74.33 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.994 -1.066 . . . . 0.0 112.464 173.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.4 92.63 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.822 1.249 . . . . 0.0 113.5 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.54 -35.54 76.27 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 174.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -80.03 -49.98 11.03 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.924 -1.11 . . . . 0.0 112.67 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -69.09 -42.88 75.56 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.458 -1.402 . . . . 0.0 113.03 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.16 42.09 1.47 Allowed Glycine 0 C--N 1.342 0.914 0 CA-C-O 115.29 -2.95 . . . . 0.0 116.989 -167.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -59.71 -22.01 65.66 Favored 'Trans proline' 0 C--N 1.346 0.404 1 CA-C-N 126.53 5.165 . . . . 0.0 112.084 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -55.29 -45.36 76.2 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.158 2.583 . . . . 0.0 113.063 172.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.97 -40.89 78.6 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.2 -1.562 . . . . 0.0 113.14 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -62.63 -43.02 99.86 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.517 1.127 . . . . 0.0 111.976 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -60.17 -40.99 91.91 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 124.82 1.248 . . . . 0.0 113.035 175.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.16 -42.24 99.4 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.625 -1.297 . . . . 0.0 114.19 173.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 p -82.17 -56.0 6.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 O-C-N 120.278 -1.514 . . . . 0.0 114.286 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.281 12.5 t -99.03 58.23 1.12 Allowed 'General case' 0 C--N 1.354 0.774 0 CA-C-O 125.079 2.371 . . . . 0.0 111.225 -166.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -61.13 -39.59 90.6 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.717 2.007 . . . . 0.0 113.208 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -117.56 104.42 11.03 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 164.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.9 t . . . . . 0 C--O 1.239 0.517 0 O-C-N 121.488 -0.758 . . . . 0.0 111.863 176.467 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 . . . . . 0 N--CA 1.441 -0.901 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.68 141.37 98.27 Favored Pre-proline 0 C--N 1.351 0.633 0 O-C-N 120.317 -1.49 . . . . 0.0 109.933 166.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -56.75 118.51 5.37 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.936 2.424 . . . . 0.0 115.196 -161.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 76.1 mt -65.47 -44.26 94.26 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 124.796 1.238 . . . . 0.0 111.711 -175.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.41 -43.79 97.97 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.326 1.05 . . . . 0.0 112.801 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.58 95.15 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 121.147 -0.97 . . . . 0.0 112.555 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.3 m -62.91 -44.72 95.32 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 124.432 1.093 . . . . 0.0 113.236 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.55 -44.21 94.84 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 125.125 1.37 . . . . 0.0 112.265 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.54 99.01 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.28 1.032 . . . . 0.0 113.162 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.05 97.63 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.759 -1.213 . . . . 0.0 113.619 171.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -40.36 97.11 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 124.526 1.131 . . . . 0.0 112.947 174.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -62.45 -40.92 98.18 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 124.934 1.294 . . . . 0.0 111.889 169.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.38 155.04 6.51 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 124.597 1.094 . . . . 0.0 111.402 166.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.77 -0.6 6.32 Favored 'Trans proline' 0 C--N 1.334 -0.199 0 C-N-CA 124.952 3.768 . . . . 0.0 114.311 -167.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -27.86 -66.23 0.07 Allowed 'General case' 0 C--N 1.345 0.382 0 C-N-CA 130.792 3.637 . . . . 0.0 115.745 174.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -62.15 -44.14 97.27 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.353 1.461 . . . . 0.0 114.551 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -63.99 -42.3 97.24 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.548 1.139 . . . . 0.0 111.501 177.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.7 m -61.64 -38.51 87.96 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 125.613 1.565 . . . . 0.0 112.924 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.6 mt -65.76 -50.71 63.77 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.526 -1.359 . . . . 0.0 113.932 170.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -83.55 -48.12 17.55 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -171.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.303 13.9 t -102.94 72.8 1.21 Allowed 'General case' 0 C--N 1.351 0.632 0 CA-C-O 124.96 2.314 . . . . 0.0 110.788 -165.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -89.56 2.17 54.99 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 120.017 -1.677 . . . . 0.0 111.879 -176.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -108.54 23.56 14.35 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 123.949 0.9 . . . . 0.0 109.634 173.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.349 0.552 0 C-N-CA 124.198 0.999 . . . . 0.0 112.256 177.507 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 N--CA 1.443 -0.801 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.79 146.52 98.42 Favored Pre-proline 0 C--N 1.346 0.432 0 O-C-N 120.536 -1.352 . . . . 0.0 109.561 165.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -86.2 106.28 0.8 Allowed 'Trans proline' 0 N--CA 1.462 -0.364 0 CA-C-N 124.295 2.57 . . . . 0.0 110.856 -153.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.08 -44.48 95.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 126.0 1.72 . . . . 0.0 113.264 -171.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.23 -45.0 95.29 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.156 -0.965 . . . . 0.0 112.413 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.18 95.29 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 121.16 -0.963 . . . . 0.0 112.456 174.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -61.71 -42.36 98.85 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.899 -1.126 . . . . 0.0 113.506 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.07 -48.85 69.64 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.565 -1.334 . . . . 0.0 112.226 173.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.02 -39.54 92.63 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.894 1.278 . . . . 0.0 113.63 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.34 -35.97 76.87 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -85.05 -50.34 7.53 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.892 -1.13 . . . . 0.0 112.322 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -69.54 -43.27 73.33 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.43 -1.419 . . . . 0.0 113.284 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.58 45.59 1.1 Allowed Glycine 0 C--N 1.342 0.887 0 CA-C-O 115.616 -2.769 . . . . 0.0 116.528 -167.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -67.57 -12.8 36.9 Favored 'Trans proline' 0 CA--C 1.518 -0.292 1 CA-C-N 126.135 4.967 . . . . 0.0 111.451 -178.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -39.42 82.5 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 125.417 1.487 . . . . 0.0 113.416 167.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 pp -67.29 -41.96 84.55 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.267 -1.521 . . . . 0.0 112.789 175.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -62.15 -41.56 98.41 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 121.003 -1.061 . . . . 0.0 112.227 174.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.8 t -58.98 -40.62 85.38 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.429 -0.795 . . . . 0.0 112.98 173.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.79 -48.76 73.29 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 120.556 -1.34 . . . . 0.0 114.478 173.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.0 m -76.12 -46.6 33.58 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.274 13.8 t -104.55 56.16 0.71 Allowed 'General case' 0 C--N 1.352 0.703 0 O-C-N 119.342 -2.099 . . . . 0.0 111.558 -168.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -75.93 -17.76 59.63 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 119.437 -2.039 . . . . 0.0 112.536 172.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -40.71 90.57 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 121.279 -0.888 . . . . 0.0 112.162 168.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 CA--C 1.509 -0.634 0 O-C-N 120.433 -1.417 . . . . 0.0 108.861 177.858 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . 0.29 12.6 p90 . . . . . 0 N--CA 1.444 -0.744 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -160.86 159.59 25.14 Favored Pre-proline 0 N--CA 1.45 -0.446 0 O-C-N 120.565 -1.335 . . . . 0.0 108.15 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.57 83.37 1.92 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 CA-C-N 123.137 2.156 . . . . 0.0 111.355 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.2 mt -57.04 -43.14 80.61 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 125.547 1.539 . . . . 0.0 113.029 -171.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.47 -42.12 98.29 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 124.52 1.128 . . . . 0.0 113.103 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.42 -44.3 87.81 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.036 -1.04 . . . . 0.0 112.468 176.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 m -61.84 -43.09 99.54 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 124.055 0.942 . . . . 0.0 113.311 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.35 -46.27 87.33 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.038 -1.038 . . . . 0.0 112.215 175.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.2 99.02 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 121.082 -1.011 . . . . 0.0 113.36 175.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.81 99.68 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.36 1.064 . . . . 0.0 113.513 173.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -66.63 -41.85 87.66 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.493 -1.38 . . . . 0.0 113.54 172.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -68.52 -47.42 67.01 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.573 1.149 . . . . 0.0 113.57 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.34 83.88 0.07 OUTLIER Glycine 0 C--N 1.345 1.065 0 O-C-N 120.341 -1.474 . . . . 0.0 113.028 -172.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.87 -4.08 14.05 Favored 'Trans proline' 0 CA--C 1.521 -0.132 0 C-N-CA 123.939 3.092 . . . . 0.0 112.555 -171.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.23 -35.77 70.1 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.566 1.946 . . . . 0.0 112.446 172.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 pp -60.61 -41.5 94.91 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.932 -1.105 . . . . 0.0 113.649 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -64.29 -43.52 94.5 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.871 -1.143 . . . . 0.0 112.454 174.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -61.08 -42.49 98.6 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 124.115 0.966 . . . . 0.0 113.008 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.55 -44.16 97.03 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.751 -1.218 . . . . 0.0 114.016 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -76.98 -51.36 18.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 120.271 -1.518 . . . . 0.0 113.902 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 t -105.9 106.92 17.66 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 123.964 1.84 . . . . 0.0 110.521 -173.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -112.23 8.55 19.83 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.273 -1.331 . . . . 0.0 111.044 -170.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -102.53 10.47 38.82 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 120.93 -1.106 . . . . 0.0 109.748 171.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 CA--C 1.514 -0.442 0 C-N-CA 125.214 1.406 . . . . 0.0 113.298 -170.521 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 . . . . . 0 N--CA 1.443 -0.797 0 CA-C-O 120.917 0.389 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp -146.61 163.4 29.63 Favored Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 -174.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -87.23 102.54 0.54 Allowed 'Trans proline' 0 N--CA 1.459 -0.505 0 CA-C-N 123.417 2.256 . . . . 0.0 109.51 -173.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.7 mm -60.45 -41.67 88.35 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 C-N-CA 125.378 1.471 . . . . 0.0 113.541 -169.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.99 -42.02 97.61 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 124.549 1.14 . . . . 0.0 113.142 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.27 87.16 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 121.165 -0.959 . . . . 0.0 112.479 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.5 m -62.61 -43.26 99.24 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.103 0.961 . . . . 0.0 113.474 175.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.2 -46.36 87.43 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 124.262 1.025 . . . . 0.0 112.107 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.74 98.55 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 121.115 -0.991 . . . . 0.0 113.18 175.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.47 99.76 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 173.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -42.45 82.07 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.401 -1.437 . . . . 0.0 113.051 174.073 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -67.76 -47.07 70.24 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.523 -1.361 . . . . 0.0 113.693 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.42 82.7 0.08 OUTLIER Glycine 0 C--N 1.345 1.051 0 O-C-N 120.157 -1.589 . . . . 0.0 113.46 -171.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.49 -4.24 14.11 Favored 'Trans proline' 0 C--N 1.336 -0.113 0 C-N-CA 124.009 3.139 . . . . 0.0 112.41 -171.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -36.84 69.79 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.606 1.962 . . . . 0.0 112.454 172.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.38 -42.83 99.34 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 120.842 -1.161 . . . . 0.0 113.714 176.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -64.55 -42.3 95.78 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.822 -1.174 . . . . 0.0 112.444 173.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.4 t -60.11 -43.25 95.74 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 124.292 1.037 . . . . 0.0 112.864 177.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.65 -44.13 97.54 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 m -79.29 -54.05 12.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 O-C-N 120.181 -1.574 . . . . 0.0 113.448 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -104.75 60.73 0.7 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 123.979 1.847 . . . . 0.0 109.866 -170.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -60.44 -44.04 96.22 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 126.848 2.059 . . . . 0.0 113.668 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.8 mttp 73.88 22.21 2.51 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 126.025 1.73 . . . . 0.0 112.083 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.2 t . . . . . 0 N--CA 1.446 -0.656 0 N-CA-C 105.507 -2.035 . . . . 0.0 105.507 174.859 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -88.13 103.93 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.473 0 CA-C-N 123.313 2.219 . . . . 0.0 109.513 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.55 -41.99 89.84 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 C-N-CA 125.503 1.521 . . . . 0.0 113.081 -170.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.07 -42.25 98.14 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 124.632 1.173 . . . . 0.0 112.748 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.07 90.96 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 121.215 -0.928 . . . . 0.0 112.581 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.5 m -62.35 -43.32 99.09 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.51 -45.52 90.29 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.886 -1.134 . . . . 0.0 111.963 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.53 99.0 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.082 0.953 . . . . 0.0 112.901 174.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.61 99.09 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.626 -1.296 . . . . 0.0 114.407 173.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -70.39 -45.45 65.97 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.401 -1.437 . . . . 0.0 113.74 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -83.15 -44.32 15.21 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.195 -1.566 . . . . 0.0 113.164 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.14 53.49 0.63 Allowed Glycine 0 C--N 1.34 0.801 0 CA-C-O 116.522 -2.265 . . . . 0.0 116.212 -162.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -68.45 -6.88 18.71 Favored 'Trans proline' 0 N--CA 1.472 0.21 1 CA-C-N 124.301 4.051 . . . . 0.0 110.906 177.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -54.58 -43.84 72.47 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 129.336 3.054 . . . . 0.0 111.966 166.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 pp -67.36 -41.77 84.54 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 120.559 -1.338 . . . . 0.0 113.125 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -62.37 -43.13 99.53 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 121.147 -0.971 . . . . 0.0 111.881 174.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.6 m -59.41 -40.53 86.95 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 124.791 1.236 . . . . 0.0 113.115 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.84 -43.36 99.01 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.7 -1.25 . . . . 0.0 114.186 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -85.47 -56.22 5.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 O-C-N 120.529 -1.357 . . . . 0.0 114.186 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 t -96.71 56.13 1.46 Allowed 'General case' 0 C--N 1.352 0.698 0 CA-C-O 124.363 2.03 . . . . 0.0 111.311 -165.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm . . . . . 0 N--CA 1.449 -0.483 0 C-N-CA 126.45 1.9 . . . . 0.0 114.046 -178.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -56.46 117.96 4.71 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.742 2.295 . . . . 0.0 114.236 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.99 -43.88 92.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 C-N-CA 124.693 1.197 . . . . 0.0 111.749 -175.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.06 -43.59 98.66 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.809 1.243 . . . . 0.0 112.384 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.65 95.89 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 121.092 -1.005 . . . . 0.0 112.847 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.8 t -61.6 -42.8 99.38 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.957 -1.089 . . . . 0.0 113.217 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -67.77 -51.85 44.13 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 120.811 -1.181 . . . . 0.0 112.341 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.49 -42.81 91.74 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -175.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.92 -16.46 60.02 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.267 -1.521 . . . . 0.0 113.046 -178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -90.82 -52.63 4.77 Favored 'General case' 0 N--CA 1.447 -0.625 0 O-C-N 121.021 -1.049 . . . . 0.0 111.991 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -73.97 -45.12 52.14 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.045 -1.66 . . . . 0.0 112.754 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.81 42.17 1.45 Allowed Glycine 0 C--N 1.343 0.929 0 CA-C-O 115.424 -2.876 . . . . 0.0 116.805 -165.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -68.01 -8.85 23.86 Favored 'Trans proline' 0 C--N 1.345 0.393 1 CA-C-N 126.308 5.054 . . . . 0.0 111.965 -175.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -56.94 -42.3 79.79 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 127.218 2.207 . . . . 0.0 112.079 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.72 -41.02 92.77 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 120.72 -1.238 . . . . 0.0 113.142 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -62.84 -43.63 98.27 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 121.062 -1.024 . . . . 0.0 112.035 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -59.56 -40.22 86.6 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 123.961 0.905 . . . . 0.0 113.383 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.23 -44.53 94.99 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.598 -1.314 . . . . 0.0 114.092 173.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.96 -45.49 22.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 120.159 -1.588 . . . . 0.0 114.908 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -91.41 13.4 17.64 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -152.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 mttp . . . . . 0 CA--C 1.539 0.546 1 N-CA-C 122.104 4.113 . . . . 0.0 122.104 -170.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 N--CA 1.448 -0.567 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -57.43 117.31 3.99 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 CA-C-N 123.505 2.288 . . . . 0.0 114.111 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.08 -45.73 82.86 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 C-N-CA 124.0 0.92 . . . . 0.0 111.87 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.19 -44.42 96.64 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.432 1.093 . . . . 0.0 112.654 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.54 96.7 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 121.137 -0.977 . . . . 0.0 112.715 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -62.61 -43.07 99.73 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 121.016 -1.052 . . . . 0.0 113.249 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.16 -49.34 65.1 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 124.065 0.946 . . . . 0.0 112.864 175.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.73 91.23 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 124.688 1.195 . . . . 0.0 113.73 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.36 -16.73 63.01 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -92.59 -54.19 3.88 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.804 -1.185 . . . . 0.0 110.745 170.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -66.65 -43.65 84.03 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.682 1.193 . . . . 0.0 114.177 -174.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.72 54.64 0.52 Allowed Glycine 0 C--N 1.345 1.048 0 CA-C-O 117.086 -1.952 . . . . 0.0 114.898 -173.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -67.88 -8.01 21.29 Favored 'Trans proline' 0 CA--C 1.517 -0.355 0 CA-C-N 123.934 3.867 . . . . 0.0 112.728 -172.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -58.68 -38.73 78.84 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 127.171 2.189 . . . . 0.0 112.0 175.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.02 -39.0 90.77 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -177.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -62.4 -45.45 93.08 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 121.086 -1.008 . . . . 0.0 112.191 178.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 m -61.65 -39.87 92.9 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.475 1.11 . . . . 0.0 113.24 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.43 -43.5 97.27 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.858 -1.151 . . . . 0.0 113.93 174.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -85.18 -56.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 O-C-N 120.512 -1.368 . . . . 0.0 114.068 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.262 14.2 t -101.34 58.54 0.87 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-O 125.016 2.341 . . . . 0.0 111.082 -164.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 126.571 1.948 . . . . 0.0 114.328 -174.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -57.73 118.69 5.6 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.59 2.193 . . . . 0.0 114.325 177.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.3 mt -66.1 -44.28 91.92 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 C-N-CA 124.519 1.128 . . . . 0.0 111.781 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.34 -44.18 97.61 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.759 1.224 . . . . 0.0 112.591 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.96 98.62 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.082 -1.011 . . . . 0.0 112.748 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 t -62.27 -42.89 99.74 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.926 -1.109 . . . . 0.0 113.357 176.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.81 -48.44 68.96 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.158 0.983 . . . . 0.0 112.652 174.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.13 91.41 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 124.932 1.293 . . . . 0.0 113.491 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.44 -15.83 63.36 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -94.26 -57.82 2.4 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.758 -1.214 . . . . 0.0 110.844 172.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -68.39 -44.02 76.03 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.472 -1.393 . . . . 0.0 113.412 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.16 36.48 2.25 Favored Glycine 0 C--N 1.345 1.032 0 CA-C-O 114.497 -3.39 . . . . 0.0 117.838 -167.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.41 -12.21 33.04 Favored 'Trans proline' 0 C--N 1.346 0.401 1 CA-C-N 127.772 5.786 . . . . 0.0 111.587 -173.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -55.59 -39.69 71.06 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 128.28 2.632 . . . . 0.0 112.251 170.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.46 -38.32 87.07 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 120.606 -1.309 . . . . 0.0 113.4 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -62.9 -44.83 95.04 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 121.16 -0.962 . . . . 0.0 112.09 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.4 m -59.63 -38.8 82.33 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.78 -43.67 95.67 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.729 -1.232 . . . . 0.0 114.155 173.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.6 p -82.59 -53.21 12.2 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 O-C-N 120.209 -1.557 . . . . 0.0 114.178 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 t -101.94 63.48 0.92 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-O 124.341 2.02 . . . . 0.0 110.12 -168.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.1 mttp . . . . . 0 C--N 1.346 0.441 0 C-N-CA 126.516 1.926 . . . . 0.0 114.203 -173.64 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -88.58 104.66 0.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 CA-C-N 122.784 2.03 . . . . 0.0 109.613 -171.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.1 mt -61.57 -43.81 97.58 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 125.355 1.462 . . . . 0.0 112.595 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.27 -42.25 98.32 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.319 1.048 . . . . 0.0 112.989 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.42 -43.63 93.73 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 121.069 -1.019 . . . . 0.0 112.846 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.3 t -63.75 -44.06 94.59 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 121.279 -0.888 . . . . 0.0 113.231 175.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.53 -47.08 85.49 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.537 1.135 . . . . 0.0 112.167 175.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.28 92.04 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.34 1.056 . . . . 0.0 113.399 175.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.25 97.22 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 174.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -73.04 -46.55 51.24 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.642 -1.286 . . . . 0.0 114.374 169.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -68.4 -43.2 77.78 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.33 66.51 0.29 Allowed Glycine 0 C--N 1.344 0.996 0 O-C-N 120.212 -1.555 . . . . 0.0 113.793 -173.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.77 -6.09 17.11 Favored 'Trans proline' 0 C--O 1.234 0.279 0 CA-C-N 122.602 3.201 . . . . 0.0 112.234 -174.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -73.78 -22.53 59.8 Favored 'General case' 0 N--CA 1.439 -1.019 0 O-C-N 120.828 -1.17 . . . . 0.0 113.517 170.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 pp -63.58 -43.03 98.19 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 120.903 1.683 . . . . 0.0 112.345 173.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -62.53 -42.25 99.4 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 124.419 1.088 . . . . 0.0 111.939 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 m -59.94 -41.16 91.23 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 123.8 0.84 . . . . 0.0 112.896 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.13 -44.4 88.8 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 174.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.6 p -84.48 -54.5 8.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.457 -1.402 . . . . 0.0 114.133 -175.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -98.64 65.58 1.59 Allowed 'General case' 0 C--N 1.353 0.721 0 CA-C-O 123.663 1.696 . . . . 0.0 110.376 -165.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm . . . . . 0 N--CA 1.449 -0.493 0 C-N-CA 125.467 1.507 . . . . 0.0 114.51 -173.485 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 105.523 -2.029 . . . . 0.0 105.523 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -58.37 118.2 5.05 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 CA-C-N 123.01 2.111 . . . . 0.0 113.905 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.8 mt -67.95 -45.26 84.13 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 C-N-CA 123.868 0.867 . . . . 0.0 111.961 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.87 -43.68 98.13 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.245 1.018 . . . . 0.0 113.097 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.0 98.07 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 121.164 -0.96 . . . . 0.0 112.626 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.5 m -62.92 -44.31 96.42 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.13 0.972 . . . . 0.0 113.087 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.43 -44.56 94.2 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.026 1.33 . . . . 0.0 112.473 175.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.66 97.88 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.599 1.16 . . . . 0.0 113.284 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.73 98.92 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 120.727 -1.233 . . . . 0.0 113.648 170.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -40.36 96.46 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.764 -1.21 . . . . 0.0 113.096 175.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.88 -40.76 96.51 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 125.378 1.471 . . . . 0.0 111.691 168.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.82 149.19 8.16 Favored Glycine 0 C--N 1.34 0.762 0 C-N-CA 126.152 1.834 . . . . 0.0 110.858 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -70.17 -2.31 10.25 Favored 'Trans proline' 0 C--N 1.332 -0.294 0 C-N-CA 124.508 3.472 . . . . 0.0 115.634 -157.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -33.88 -52.27 0.43 Allowed 'General case' 0 C--N 1.348 0.526 0 C-N-CA 129.194 2.998 . . . . 0.0 116.093 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -62.04 -43.39 98.95 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 125.06 1.344 . . . . 0.0 114.312 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -66.42 -44.78 82.0 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.327 1.051 . . . . 0.0 111.61 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.0 m -60.03 -39.36 85.64 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.62 1.168 . . . . 0.0 113.375 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.45 -43.85 97.82 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.1 p -88.96 -57.68 4.06 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 O-C-N 120.633 -1.292 . . . . 0.0 113.979 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.261 11.7 t -95.14 61.61 2.45 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 125.165 2.412 . . . . 0.0 111.49 -163.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm . . . . . 0 N--CA 1.447 -0.592 0 O-C-N 120.095 -1.628 . . . . 0.0 112.602 -177.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -73.16 84.98 1.27 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.504 2.136 . . . . 0.0 110.836 168.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.4 mt -57.29 -40.58 74.76 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 125.553 1.541 . . . . 0.0 113.113 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.54 -41.69 94.99 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.896 -1.127 . . . . 0.0 113.137 177.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.69 89.87 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.948 -1.095 . . . . 0.0 112.498 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.0 m -62.3 -42.99 99.82 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.124 -0.985 . . . . 0.0 113.432 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.04 -46.71 86.26 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 124.659 1.183 . . . . 0.0 112.158 175.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.55 98.45 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 124.302 1.041 . . . . 0.0 113.281 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.29 98.75 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -44.42 74.81 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.646 -1.284 . . . . 0.0 113.071 173.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -67.4 -46.29 73.66 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.673 1.189 . . . . 0.0 114.04 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.67 79.22 0.09 OUTLIER Glycine 0 C--N 1.345 1.04 0 O-C-N 120.205 -1.56 . . . . 0.0 113.463 -171.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -69.94 -4.16 13.59 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 124.113 3.209 . . . . 0.0 112.119 -174.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -57.59 -37.78 73.79 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.167 1.787 . . . . 0.0 112.472 169.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.01 -43.24 99.27 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.788 -1.195 . . . . 0.0 113.838 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -64.53 -43.16 94.9 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.896 -1.127 . . . . 0.0 112.13 172.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.9 m -60.32 -39.69 87.95 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 125.17 1.388 . . . . 0.0 113.27 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.32 -43.33 99.08 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.79 -1.194 . . . . 0.0 113.992 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.3 p -84.08 -54.95 7.81 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 O-C-N 120.532 -1.355 . . . . 0.0 113.591 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.274 14.9 t -102.24 64.1 0.91 Allowed 'General case' 0 C--N 1.351 0.672 0 CA-C-O 124.824 2.25 . . . . 0.0 110.976 -166.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.2 mttp . . . . . 0 C--N 1.346 0.442 0 C-N-CA 126.0 1.72 . . . . 0.0 113.099 -179.091 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.448 -0.531 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -88.78 104.43 0.43 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 CA-C-N 122.61 1.968 . . . . 0.0 109.451 -173.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.6 mm -61.96 -43.53 97.66 Favored 'Isoleucine or valine' 0 C--N 1.347 0.471 0 C-N-CA 125.183 1.393 . . . . 0.0 113.152 -173.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.01 -42.94 99.41 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 120.986 -1.071 . . . . 0.0 112.711 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.47 96.4 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 121.047 -1.033 . . . . 0.0 112.776 174.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.7 t -63.18 -44.09 96.4 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 121.039 -1.038 . . . . 0.0 113.509 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.81 -45.62 91.78 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.825 -1.172 . . . . 0.0 112.064 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.6 -41.58 97.65 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.215 1.006 . . . . 0.0 113.068 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.07 -39.1 88.6 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -74.96 -49.25 20.68 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.287 -1.508 . . . . 0.0 114.125 171.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -75.65 -45.72 35.55 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.184 -1.572 . . . . 0.0 113.29 -173.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.64 52.03 0.7 Allowed Glycine 0 C--N 1.34 0.803 0 CA-C-O 116.615 -2.214 . . . . 0.0 115.711 -167.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -69.08 -8.86 24.76 Favored 'Trans proline' 0 C--N 1.345 0.394 1 CA-C-N 124.407 4.103 . . . . 0.0 110.136 174.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -48.19 -50.86 27.62 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 130.235 3.414 . . . . 0.0 111.584 165.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -67.52 -39.18 85.1 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 120.622 -1.299 . . . . 0.0 113.319 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.79 -43.67 98.39 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 121.198 -0.939 . . . . 0.0 112.102 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.8 p -59.67 -39.75 85.51 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.37 -42.77 98.89 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.931 -1.106 . . . . 0.0 113.879 174.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.7 p -85.32 -57.54 4.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 120.466 -1.396 . . . . 0.0 113.99 -177.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.6 t -94.69 55.24 1.88 Allowed 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.104 -1.623 . . . . 0.0 111.527 -166.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 126.811 2.044 . . . . 0.0 112.977 175.71 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -88.21 105.72 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.58 0 CA-C-N 122.618 1.971 . . . . 0.0 109.523 -171.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 mm -61.25 -43.09 95.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 125.419 1.488 . . . . 0.0 112.906 -174.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.21 -44.16 97.72 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 124.432 1.093 . . . . 0.0 112.48 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.86 95.71 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 121.01 -1.056 . . . . 0.0 112.69 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -60.88 -42.67 98.4 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.97 -1.081 . . . . 0.0 113.178 175.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 tp -67.58 -50.95 55.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.578 -1.326 . . . . 0.0 113.082 173.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.37 89.89 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.58 -15.58 59.15 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.625 -1.297 . . . . 0.0 112.998 -178.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -87.96 -48.67 7.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 121.1 -1.0 . . . . 0.0 112.077 173.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -68.83 -43.12 76.2 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.231 -1.543 . . . . 0.0 112.572 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.16 58.62 0.69 Allowed Glycine 0 C--N 1.342 0.886 0 CA-C-O 116.589 -2.228 . . . . 0.0 115.04 -171.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -58.21 -20.83 48.82 Favored 'Trans proline' 0 C--N 1.343 0.252 0 CA-C-N 124.171 3.986 . . . . 0.0 111.865 168.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -54.02 -44.39 70.91 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 127.613 2.365 . . . . 0.0 113.38 171.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -67.8 -39.94 83.93 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 120.183 -1.573 . . . . 0.0 113.008 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -62.82 -43.58 98.43 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 124.609 1.164 . . . . 0.0 111.955 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.6 t -59.6 -42.61 92.98 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.145 0.978 . . . . 0.0 112.881 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.28 -43.12 99.56 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.558 -1.339 . . . . 0.0 114.373 174.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 p -85.35 -56.01 6.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 120.364 -1.46 . . . . 0.0 114.565 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.254 9.6 t -98.28 62.77 1.51 Allowed 'General case' 0 C--N 1.351 0.671 0 CA-C-O 125.003 2.335 . . . . 0.0 111.273 -163.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm . . . . . 0 N--CA 1.447 -0.591 0 O-C-N 120.217 -1.552 . . . . 0.0 113.779 -174.403 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.12 84.04 1.74 Allowed 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.541 2.16 . . . . 0.0 111.383 175.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.0 mm -59.74 -45.49 94.5 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 124.911 1.284 . . . . 0.0 113.553 -172.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.05 -44.01 97.6 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 124.142 0.977 . . . . 0.0 112.875 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.88 97.28 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 121.05 -1.031 . . . . 0.0 112.485 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 t -63.66 -43.69 95.99 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.599 -1.313 . . . . 0.0 113.297 174.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.27 -46.02 90.67 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 124.993 1.317 . . . . 0.0 112.166 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.74 -37.51 79.16 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 124.431 1.092 . . . . 0.0 112.572 174.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.03 -11.24 60.27 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.21 -54.16 4.23 Favored 'General case' 0 C--N 1.355 0.804 0 O-C-N 120.132 -1.605 . . . . 0.0 109.49 163.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.87 -43.78 91.82 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -171.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.47 57.97 0.47 Allowed Glycine 0 C--N 1.344 0.983 0 CA-C-O 117.241 -1.866 . . . . 0.0 114.395 -175.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.81 -7.64 18.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 CA-C-N 124.012 3.906 . . . . 0.0 112.48 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -58.06 -41.28 83.02 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 126.56 1.944 . . . . 0.0 111.995 169.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -63.64 -40.81 97.81 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 120.816 -1.178 . . . . 0.0 113.605 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -63.05 -44.07 96.87 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 121.165 -0.96 . . . . 0.0 112.193 175.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -62.25 -41.07 98.11 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.43 1.092 . . . . 0.0 113.111 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.08 -44.18 96.46 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.268 -1.52 . . . . 0.0 114.069 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.18 -51.31 16.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 O-C-N 120.55 -1.344 . . . . 0.0 114.361 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -112.74 124.53 52.79 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 119.451 -2.031 . . . . 0.0 110.607 -169.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm . . . . . 0 N--CA 1.448 -0.525 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.917 -163.784 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 104.366 -2.457 . . . . 0.0 104.366 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -57.31 118.28 5.12 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.643 2.228 . . . . 0.0 114.352 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.09 -44.12 91.99 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 C-N-CA 124.342 1.057 . . . . 0.0 112.222 -176.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.61 -43.79 98.2 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.855 1.262 . . . . 0.0 112.415 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.98 98.53 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.247 -0.908 . . . . 0.0 112.664 174.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -62.75 -42.15 99.54 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.877 -1.139 . . . . 0.0 113.648 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.02 -47.29 74.9 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 121.127 -0.983 . . . . 0.0 112.542 174.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.36 95.29 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 124.785 1.234 . . . . 0.0 113.375 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.03 -34.87 73.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 175.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -83.41 -52.81 6.2 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 120.787 -1.195 . . . . 0.0 112.397 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -73.01 -46.08 54.12 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.297 -1.502 . . . . 0.0 113.024 -174.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.3 40.5 1.63 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-O 115.302 -2.943 . . . . 0.0 116.66 -166.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -69.44 -10.42 28.78 Favored 'Trans proline' 0 CA--C 1.515 -0.472 1 CA-C-N 126.451 5.126 . . . . 0.0 111.394 -175.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -56.82 -39.76 74.76 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 127.413 2.285 . . . . 0.0 112.116 171.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.28 -39.18 89.24 Favored 'General case' 0 C--N 1.356 0.878 0 O-C-N 120.831 -1.168 . . . . 0.0 113.199 175.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -62.61 -44.38 96.44 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 121.103 -0.998 . . . . 0.0 112.082 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.5 m -59.26 -38.77 80.9 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.3 -45.38 88.19 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.594 -1.317 . . . . 0.0 114.248 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.9 m -82.68 -51.81 14.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 O-C-N 120.269 -1.519 . . . . 0.0 114.569 -176.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.27 11.3 t -98.78 60.28 1.26 Allowed 'General case' 0 C--N 1.352 0.694 0 CA-C-O 124.643 2.163 . . . . 0.0 111.633 -164.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.8 mttp . . . . . 0 N--CA 1.453 -0.279 0 C-N-CA 126.388 1.875 . . . . 0.0 113.375 179.322 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 104.778 -2.304 . . . . 0.0 104.778 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -57.69 118.18 5.01 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.674 2.249 . . . . 0.0 114.47 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.91 -44.97 88.44 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 C-N-CA 124.379 1.072 . . . . 0.0 111.939 -177.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.8 -44.43 96.88 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 124.537 1.135 . . . . 0.0 112.611 -178.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.06 98.27 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.113 -0.992 . . . . 0.0 112.755 174.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 t -62.15 -43.32 99.09 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.972 -1.08 . . . . 0.0 113.275 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.3 tp -67.0 -47.54 71.19 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 121.196 -0.94 . . . . 0.0 113.37 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.55 95.66 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.739 1.216 . . . . 0.0 113.266 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.82 -16.16 63.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -91.84 -54.87 3.68 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 120.769 -1.207 . . . . 0.0 111.058 171.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -67.43 -43.9 80.04 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.554 -1.341 . . . . 0.0 113.359 -176.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.54 52.59 0.59 Allowed Glycine 0 C--N 1.343 0.964 0 CA-C-O 116.138 -2.479 . . . . 0.0 115.888 -170.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -60.03 -22.14 68.08 Favored 'Trans proline' 0 C--N 1.346 0.408 1 CA-C-N 124.628 4.214 . . . . 0.0 111.426 173.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.451 ' H ' ' HG3' ' A' ' 15' ' ' LYS . 44.3 mttt -37.45 -48.43 0.96 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 130.807 3.643 . . . . 0.0 113.881 163.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.0 -39.02 83.32 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.688 -1.258 . . . . 0.0 113.617 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -63.32 -43.87 96.57 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.967 -1.083 . . . . 0.0 111.804 177.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 m -59.7 -38.95 82.99 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.277 1.031 . . . . 0.0 113.459 175.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.11 -43.05 99.51 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.68 -1.262 . . . . 0.0 113.963 172.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.5 m -83.24 -54.89 8.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.674 0 O-C-N 120.535 -1.353 . . . . 0.0 114.379 -177.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.29 7.9 t -97.41 56.94 1.37 Allowed 'General case' 0 C--N 1.354 0.803 0 CA-C-O 125.32 2.486 . . . . 0.0 111.635 -164.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm . . . . . 0 N--CA 1.45 -0.442 0 C-N-CA 126.925 2.09 . . . . 0.0 113.055 179.052 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -87.35 106.36 0.63 Allowed 'Trans proline' 0 N--CA 1.459 -0.525 0 CA-C-N 122.968 2.096 . . . . 0.0 110.436 -155.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.1 mt -60.71 -43.16 94.48 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 C-N-CA 126.068 1.747 . . . . 0.0 112.376 -175.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.29 -43.69 98.45 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 124.505 1.122 . . . . 0.0 112.422 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.31 96.88 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.062 -1.024 . . . . 0.0 112.646 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 t -62.57 -42.01 99.29 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.641 -1.287 . . . . 0.0 113.791 174.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.91 -46.42 81.76 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.54 1.136 . . . . 0.0 112.061 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.29 90.5 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.042 1.337 . . . . 0.0 113.278 176.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.09 -33.67 72.42 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.485 -1.384 . . . . 0.0 114.624 174.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -87.41 -56.5 3.34 Favored 'General case' 0 C--N 1.347 0.463 0 O-C-N 120.879 -1.138 . . . . 0.0 112.709 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -78.41 -44.73 24.08 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 119.882 -1.761 . . . . 0.0 111.905 -175.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.53 19.67 36.08 Favored Glycine 0 C--N 1.34 0.805 1 CA-C-O 113.303 -4.054 . . . . 0.0 119.477 -167.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.75 -6.79 19.43 Favored 'Trans proline' 0 C--N 1.351 0.687 1 CA-C-N 130.089 6.945 . . . . 0.0 110.984 -174.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.405 ' HG2' ' H ' ' A' ' 15' ' ' LYS . 5.6 mmtp -53.93 -47.08 71.59 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 128.675 2.79 . . . . 0.0 111.089 165.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.71 -40.02 76.54 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.703 -1.248 . . . . 0.0 113.154 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.56 -42.97 99.62 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.968 -1.082 . . . . 0.0 111.806 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -60.93 -38.29 85.29 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.312 1.445 . . . . 0.0 113.26 174.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.55 -41.71 99.08 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.509 -1.369 . . . . 0.0 113.805 171.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.669 HG13 ' H ' ' A' ' 21' ' ' THR 0.294 9.6 p -86.18 -102.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 119.533 1.061 . . . . 0.0 113.248 178.011 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.669 ' H ' HG13 ' A' ' 20' ' ' VAL . 7.4 t -67.71 141.65 56.56 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 119.656 -1.902 . . . . 0.0 115.127 -170.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 mttm . . . . . 0 C--N 1.349 0.55 0 O-C-N 121.044 -1.035 . . . . 0.0 109.352 179.84 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -57.13 118.8 5.73 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 123.156 2.57 . . . . 0.0 115.366 -163.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.46 -44.52 94.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 C-N-CA 124.835 1.254 . . . . 0.0 112.041 -175.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.88 -44.5 96.67 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.551 1.14 . . . . 0.0 112.11 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.16 98.07 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 121.272 -0.892 . . . . 0.0 112.689 174.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -61.86 -42.61 99.26 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.74 -1.225 . . . . 0.0 113.593 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.24 -48.61 69.95 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.525 -1.359 . . . . 0.0 112.406 173.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.07 85.78 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.196 1.399 . . . . 0.0 113.741 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.3 -31.43 69.13 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 120.486 -1.384 . . . . 0.0 114.581 174.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -90.98 -55.88 3.39 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.719 -1.238 . . . . 0.0 111.864 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -72.99 -47.7 42.94 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.018 -1.676 . . . . 0.0 112.476 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.98 18.0 40.62 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-O 113.939 -3.701 . . . . 0.0 119.565 -169.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -70.24 -7.16 20.54 Favored 'Trans proline' 0 C--N 1.35 0.636 1 CA-C-N 129.746 6.773 . . . . 0.0 110.712 -175.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 15' ' ' LYS . 13.6 mmtm -57.57 -47.16 82.85 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 127.805 2.442 . . . . 0.0 111.123 169.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -76.01 -36.88 58.98 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 120.996 -1.065 . . . . 0.0 112.484 176.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -59.67 -40.03 86.43 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 121.013 -1.054 . . . . 0.0 112.197 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.6 t -56.86 -40.22 75.72 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 121.309 -0.869 . . . . 0.0 113.193 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.81 -48.8 70.5 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.1 p -73.61 -38.71 52.51 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -87.41 16.7 5.1 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.031 -2.293 . . . . 0.0 113.498 -162.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.2 mttm . . . . . 0 C--N 1.348 0.502 0 O-C-N 118.79 -2.444 . . . . 0.0 114.879 -174.257 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -89.04 103.35 0.39 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 CA-C-N 122.581 1.958 . . . . 0.0 108.193 -177.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.49 -44.21 98.67 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 C-N-CA 124.793 1.237 . . . . 0.0 112.546 -173.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.36 -43.98 97.54 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 121.078 -1.014 . . . . 0.0 112.741 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.84 97.0 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 121.094 -1.004 . . . . 0.0 112.644 174.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.6 m -62.91 -43.38 98.95 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.516 1.127 . . . . 0.0 113.47 176.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.55 -46.2 83.83 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.546 1.139 . . . . 0.0 112.021 173.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.49 87.21 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.772 1.229 . . . . 0.0 113.205 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.13 81.79 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -80.1 -49.93 11.04 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.238 -1.539 . . . . 0.0 113.635 170.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -72.39 -47.05 52.37 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.163 -1.586 . . . . 0.0 113.552 -172.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.81 42.75 1.32 Allowed Glycine 0 C--N 1.339 0.709 0 CA-C-O 115.372 -2.904 . . . . 0.0 116.36 -166.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -70.13 -10.19 27.7 Favored 'Trans proline' 0 CA--C 1.516 -0.388 1 CA-C-N 126.398 5.099 . . . . 0.0 111.37 -173.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -57.98 -38.06 75.36 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 127.838 2.455 . . . . 0.0 112.271 170.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.88 -38.73 89.55 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.227 -1.545 . . . . 0.0 113.055 176.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -64.01 -46.98 82.1 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 121.371 -0.83 . . . . 0.0 113.074 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.3 p -66.52 -37.45 85.07 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.47 -45.88 91.02 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.379 -1.45 . . . . 0.0 113.77 171.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.52 -49.68 29.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 O-C-N 120.381 -1.45 . . . . 0.0 114.224 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.8 t -112.27 118.41 35.19 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 123.751 1.739 . . . . 0.0 110.145 -174.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm . . . . . 0 N--CA 1.447 -0.593 0 CA-C-N 114.623 -1.172 . . . . 0.0 109.417 -169.398 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 N--CA 1.446 -0.665 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -88.98 105.55 0.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.607 0 CA-C-N 122.807 2.038 . . . . 0.0 109.329 -172.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.3 mm -61.51 -43.56 97.08 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 C-N-CA 125.26 1.424 . . . . 0.0 112.848 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.35 -44.17 97.63 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.595 1.158 . . . . 0.0 112.401 178.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.95 97.61 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 121.107 -0.996 . . . . 0.0 112.554 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 t -62.06 -42.24 98.98 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.744 -1.223 . . . . 0.0 113.605 175.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.18 -47.32 74.33 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.994 -1.066 . . . . 0.0 112.464 173.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.4 92.63 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.822 1.249 . . . . 0.0 113.5 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.54 -35.54 76.27 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 174.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -80.03 -49.98 11.03 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.924 -1.11 . . . . 0.0 112.67 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -69.09 -42.88 75.56 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.458 -1.402 . . . . 0.0 113.03 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.16 42.09 1.47 Allowed Glycine 0 C--N 1.342 0.914 0 CA-C-O 115.29 -2.95 . . . . 0.0 116.989 -167.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -59.71 -22.01 65.66 Favored 'Trans proline' 0 C--N 1.346 0.404 1 CA-C-N 126.53 5.165 . . . . 0.0 112.084 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -55.29 -45.36 76.2 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.158 2.583 . . . . 0.0 113.063 172.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.97 -40.89 78.6 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.2 -1.562 . . . . 0.0 113.14 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -62.63 -43.02 99.86 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.517 1.127 . . . . 0.0 111.976 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -60.17 -40.99 91.91 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 124.82 1.248 . . . . 0.0 113.035 175.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.16 -42.24 99.4 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.625 -1.297 . . . . 0.0 114.19 173.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 p -82.17 -56.0 6.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 O-C-N 120.278 -1.514 . . . . 0.0 114.286 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.281 12.5 t -99.03 58.23 1.12 Allowed 'General case' 0 C--N 1.354 0.774 0 CA-C-O 125.079 2.371 . . . . 0.0 111.225 -166.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm . . . . . 0 N--CA 1.451 -0.422 0 C-N-CA 126.717 2.007 . . . . 0.0 113.208 -179.359 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -56.75 118.51 5.37 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.936 2.424 . . . . 0.0 115.196 -161.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 76.1 mt -65.47 -44.26 94.26 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 124.796 1.238 . . . . 0.0 111.711 -175.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.41 -43.79 97.97 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.326 1.05 . . . . 0.0 112.801 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.58 95.15 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 121.147 -0.97 . . . . 0.0 112.555 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.3 m -62.91 -44.72 95.32 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 124.432 1.093 . . . . 0.0 113.236 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.55 -44.21 94.84 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 125.125 1.37 . . . . 0.0 112.265 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.54 99.01 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.28 1.032 . . . . 0.0 113.162 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.05 97.63 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.759 -1.213 . . . . 0.0 113.619 171.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -40.36 97.11 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 124.526 1.131 . . . . 0.0 112.947 174.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -62.45 -40.92 98.18 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 124.934 1.294 . . . . 0.0 111.889 169.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.38 155.04 6.51 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 124.597 1.094 . . . . 0.0 111.402 166.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.77 -0.6 6.32 Favored 'Trans proline' 0 C--N 1.334 -0.199 0 C-N-CA 124.952 3.768 . . . . 0.0 114.311 -167.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -27.86 -66.23 0.07 Allowed 'General case' 0 C--N 1.345 0.382 0 C-N-CA 130.792 3.637 . . . . 0.0 115.745 174.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -62.15 -44.14 97.27 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.353 1.461 . . . . 0.0 114.551 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -63.99 -42.3 97.24 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.548 1.139 . . . . 0.0 111.501 177.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.7 m -61.64 -38.51 87.96 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 125.613 1.565 . . . . 0.0 112.924 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.6 mt -65.76 -50.71 63.77 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.526 -1.359 . . . . 0.0 113.932 170.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -83.55 -48.12 17.55 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -171.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.303 13.9 t -102.94 72.8 1.21 Allowed 'General case' 0 C--N 1.351 0.632 0 CA-C-O 124.96 2.314 . . . . 0.0 110.788 -165.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.9 mttm . . . . . 0 N--CA 1.449 -0.479 0 O-C-N 120.017 -1.677 . . . . 0.0 111.879 -176.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -86.2 106.28 0.8 Allowed 'Trans proline' 0 N--CA 1.462 -0.364 0 CA-C-N 124.295 2.57 . . . . 0.0 110.856 -153.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.08 -44.48 95.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 126.0 1.72 . . . . 0.0 113.264 -171.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.23 -45.0 95.29 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.156 -0.965 . . . . 0.0 112.413 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.18 95.29 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 121.16 -0.963 . . . . 0.0 112.456 174.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -61.71 -42.36 98.85 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.899 -1.126 . . . . 0.0 113.506 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.07 -48.85 69.64 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.565 -1.334 . . . . 0.0 112.226 173.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.02 -39.54 92.63 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.894 1.278 . . . . 0.0 113.63 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.34 -35.97 76.87 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -85.05 -50.34 7.53 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.892 -1.13 . . . . 0.0 112.322 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -69.54 -43.27 73.33 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.43 -1.419 . . . . 0.0 113.284 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.58 45.59 1.1 Allowed Glycine 0 C--N 1.342 0.887 0 CA-C-O 115.616 -2.769 . . . . 0.0 116.528 -167.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -67.57 -12.8 36.9 Favored 'Trans proline' 0 CA--C 1.518 -0.292 1 CA-C-N 126.135 4.967 . . . . 0.0 111.451 -178.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -39.42 82.5 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 125.417 1.487 . . . . 0.0 113.416 167.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 pp -67.29 -41.96 84.55 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.267 -1.521 . . . . 0.0 112.789 175.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -62.15 -41.56 98.41 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 121.003 -1.061 . . . . 0.0 112.227 174.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.8 t -58.98 -40.62 85.38 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.429 -0.795 . . . . 0.0 112.98 173.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.79 -48.76 73.29 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 120.556 -1.34 . . . . 0.0 114.478 173.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.0 m -76.12 -46.6 33.58 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.274 13.8 t -104.55 56.16 0.71 Allowed 'General case' 0 C--N 1.352 0.703 0 O-C-N 119.342 -2.099 . . . . 0.0 111.558 -168.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 mttm . . . . . 0 C--N 1.348 0.506 0 O-C-N 119.437 -2.039 . . . . 0.0 112.536 172.514 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.57 83.37 1.92 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 CA-C-N 123.137 2.156 . . . . 0.0 111.355 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.2 mt -57.04 -43.14 80.61 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 125.547 1.539 . . . . 0.0 113.029 -171.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.47 -42.12 98.29 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 124.52 1.128 . . . . 0.0 113.103 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.42 -44.3 87.81 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.036 -1.04 . . . . 0.0 112.468 176.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 m -61.84 -43.09 99.54 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 124.055 0.942 . . . . 0.0 113.311 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.35 -46.27 87.33 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.038 -1.038 . . . . 0.0 112.215 175.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.2 99.02 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 121.082 -1.011 . . . . 0.0 113.36 175.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.81 99.68 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.36 1.064 . . . . 0.0 113.513 173.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -66.63 -41.85 87.66 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.493 -1.38 . . . . 0.0 113.54 172.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -68.52 -47.42 67.01 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.573 1.149 . . . . 0.0 113.57 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.34 83.88 0.07 OUTLIER Glycine 0 C--N 1.345 1.065 0 O-C-N 120.341 -1.474 . . . . 0.0 113.028 -172.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.87 -4.08 14.05 Favored 'Trans proline' 0 CA--C 1.521 -0.132 0 C-N-CA 123.939 3.092 . . . . 0.0 112.555 -171.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.23 -35.77 70.1 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.566 1.946 . . . . 0.0 112.446 172.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 pp -60.61 -41.5 94.91 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.932 -1.105 . . . . 0.0 113.649 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -64.29 -43.52 94.5 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.871 -1.143 . . . . 0.0 112.454 174.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -61.08 -42.49 98.6 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 124.115 0.966 . . . . 0.0 113.008 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.55 -44.16 97.03 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.751 -1.218 . . . . 0.0 114.016 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -76.98 -51.36 18.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 120.271 -1.518 . . . . 0.0 113.902 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 t -105.9 106.92 17.66 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 123.964 1.84 . . . . 0.0 110.521 -173.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm . . . . . 0 N--CA 1.446 -0.673 0 CA-C-N 114.273 -1.331 . . . . 0.0 111.044 -170.186 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -87.23 102.54 0.54 Allowed 'Trans proline' 0 N--CA 1.459 -0.505 0 CA-C-N 123.417 2.256 . . . . 0.0 109.51 -173.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.7 mm -60.45 -41.67 88.35 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 C-N-CA 125.378 1.471 . . . . 0.0 113.541 -169.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.99 -42.02 97.61 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 124.549 1.14 . . . . 0.0 113.142 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.27 87.16 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 121.165 -0.959 . . . . 0.0 112.479 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.5 m -62.61 -43.26 99.24 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.103 0.961 . . . . 0.0 113.474 175.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.2 -46.36 87.43 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 124.262 1.025 . . . . 0.0 112.107 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.74 98.55 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 121.115 -0.991 . . . . 0.0 113.18 175.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.47 99.76 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 173.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -42.45 82.07 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.401 -1.437 . . . . 0.0 113.051 174.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -67.76 -47.07 70.24 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.523 -1.361 . . . . 0.0 113.693 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.42 82.7 0.08 OUTLIER Glycine 0 C--N 1.345 1.051 0 O-C-N 120.157 -1.589 . . . . 0.0 113.46 -171.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.49 -4.24 14.11 Favored 'Trans proline' 0 C--N 1.336 -0.113 0 C-N-CA 124.009 3.139 . . . . 0.0 112.41 -171.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -36.84 69.79 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.606 1.962 . . . . 0.0 112.454 172.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.38 -42.83 99.34 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 120.842 -1.161 . . . . 0.0 113.714 176.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -64.55 -42.3 95.78 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.822 -1.174 . . . . 0.0 112.444 173.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.4 t -60.11 -43.25 95.74 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 124.292 1.037 . . . . 0.0 112.864 177.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.65 -44.13 97.54 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 m -79.29 -54.05 12.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 O-C-N 120.181 -1.574 . . . . 0.0 113.448 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -104.75 60.73 0.7 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 123.979 1.847 . . . . 0.0 109.866 -170.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm . . . . . 0 N--CA 1.451 -0.404 0 C-N-CA 126.848 2.059 . . . . 0.0 113.668 -179.844 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 N--CA 1.443 -0.811 0 CA-C-O 121.33 0.586 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mp -143.18 162.48 42.76 Favored Pre-proline 0 N--CA 1.446 -0.629 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 -175.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -88.13 103.93 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.473 0 CA-C-N 123.313 2.219 . . . . 0.0 109.513 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.55 -41.99 89.84 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 C-N-CA 125.503 1.521 . . . . 0.0 113.081 -170.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.07 -42.25 98.14 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 124.632 1.173 . . . . 0.0 112.748 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.07 90.96 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 121.215 -0.928 . . . . 0.0 112.581 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.5 m -62.35 -43.32 99.09 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.51 -45.52 90.29 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.886 -1.134 . . . . 0.0 111.963 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.53 99.0 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.082 0.953 . . . . 0.0 112.901 174.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.61 99.09 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.626 -1.296 . . . . 0.0 114.407 173.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -70.39 -45.45 65.97 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.401 -1.437 . . . . 0.0 113.74 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -83.15 -44.32 15.21 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.195 -1.566 . . . . 0.0 113.164 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.14 53.49 0.63 Allowed Glycine 0 C--N 1.34 0.801 0 CA-C-O 116.522 -2.265 . . . . 0.0 116.212 -162.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -68.45 -6.88 18.71 Favored 'Trans proline' 0 N--CA 1.472 0.21 1 CA-C-N 124.301 4.051 . . . . 0.0 110.906 177.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -54.58 -43.84 72.47 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 129.336 3.054 . . . . 0.0 111.966 166.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 pp -67.36 -41.77 84.54 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 120.559 -1.338 . . . . 0.0 113.125 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -62.37 -43.13 99.53 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 121.147 -0.971 . . . . 0.0 111.881 174.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.6 m -59.41 -40.53 86.95 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 124.791 1.236 . . . . 0.0 113.115 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.84 -43.36 99.01 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.7 -1.25 . . . . 0.0 114.186 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -85.47 -56.22 5.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 O-C-N 120.529 -1.357 . . . . 0.0 114.186 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 t -96.71 56.13 1.46 Allowed 'General case' 0 C--N 1.352 0.698 0 CA-C-O 124.363 2.03 . . . . 0.0 111.311 -165.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -60.98 -36.3 79.07 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.45 1.9 . . . . 0.0 114.046 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -66.27 -42.11 88.91 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 121.001 -1.062 . . . . 0.0 113.815 172.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 CA--C 1.507 -0.692 0 O-C-N 121.392 -0.818 . . . . 0.0 109.368 -171.443 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.6 p90 . . . . . 0 N--CA 1.442 -0.852 0 CA-C-O 121.37 0.605 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp -122.78 143.55 40.52 Favored Pre-proline 0 N--CA 1.449 -0.505 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 176.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -56.46 117.96 4.71 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.742 2.295 . . . . 0.0 114.236 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.99 -43.88 92.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 C-N-CA 124.693 1.197 . . . . 0.0 111.749 -175.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.06 -43.59 98.66 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.809 1.243 . . . . 0.0 112.384 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.65 95.89 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 121.092 -1.005 . . . . 0.0 112.847 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.8 t -61.6 -42.8 99.38 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.957 -1.089 . . . . 0.0 113.217 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -67.77 -51.85 44.13 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 120.811 -1.181 . . . . 0.0 112.341 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.49 -42.81 91.74 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -175.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.92 -16.46 60.02 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.267 -1.521 . . . . 0.0 113.046 -178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -90.82 -52.63 4.77 Favored 'General case' 0 N--CA 1.447 -0.625 0 O-C-N 121.021 -1.049 . . . . 0.0 111.991 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -73.97 -45.12 52.14 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.045 -1.66 . . . . 0.0 112.754 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.81 42.17 1.45 Allowed Glycine 0 C--N 1.343 0.929 0 CA-C-O 115.424 -2.876 . . . . 0.0 116.805 -165.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -68.01 -8.85 23.86 Favored 'Trans proline' 0 C--N 1.345 0.393 1 CA-C-N 126.308 5.054 . . . . 0.0 111.965 -175.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -56.94 -42.3 79.79 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 127.218 2.207 . . . . 0.0 112.079 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.72 -41.02 92.77 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 120.72 -1.238 . . . . 0.0 113.142 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -62.84 -43.63 98.27 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 121.062 -1.024 . . . . 0.0 112.035 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -59.56 -40.22 86.6 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 123.961 0.905 . . . . 0.0 113.383 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.23 -44.53 94.99 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.598 -1.314 . . . . 0.0 114.092 173.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.96 -45.49 22.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 120.159 -1.588 . . . . 0.0 114.908 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -91.41 13.4 17.64 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -152.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -33.43 -21.5 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.546 1 N-CA-C 122.104 4.113 . . . . 0.0 122.104 -170.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -101.16 -1.09 34.81 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 120.251 -1.531 . . . . 0.0 110.635 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 CA--C 1.512 -0.489 0 C-N-CA 125.179 1.391 . . . . 0.0 109.879 177.067 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.8 p90 . . . . . 0 N--CA 1.443 -0.823 0 CA-C-O 121.365 0.603 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -132.75 144.56 53.41 Favored Pre-proline 0 N--CA 1.448 -0.567 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -57.43 117.31 3.99 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 CA-C-N 123.505 2.288 . . . . 0.0 114.111 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.08 -45.73 82.86 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 C-N-CA 124.0 0.92 . . . . 0.0 111.87 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.19 -44.42 96.64 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.432 1.093 . . . . 0.0 112.654 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.54 96.7 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 121.137 -0.977 . . . . 0.0 112.715 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -62.61 -43.07 99.73 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 121.016 -1.052 . . . . 0.0 113.249 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.16 -49.34 65.1 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 124.065 0.946 . . . . 0.0 112.864 175.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.73 91.23 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 124.688 1.195 . . . . 0.0 113.73 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.36 -16.73 63.01 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -92.59 -54.19 3.88 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.804 -1.185 . . . . 0.0 110.745 170.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -66.65 -43.65 84.03 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.682 1.193 . . . . 0.0 114.177 -174.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.72 54.64 0.52 Allowed Glycine 0 C--N 1.345 1.048 0 CA-C-O 117.086 -1.952 . . . . 0.0 114.898 -173.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -67.88 -8.01 21.29 Favored 'Trans proline' 0 CA--C 1.517 -0.355 0 CA-C-N 123.934 3.867 . . . . 0.0 112.728 -172.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -58.68 -38.73 78.84 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 127.171 2.189 . . . . 0.0 112.0 175.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.02 -39.0 90.77 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -177.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -62.4 -45.45 93.08 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 121.086 -1.008 . . . . 0.0 112.191 178.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 m -61.65 -39.87 92.9 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.475 1.11 . . . . 0.0 113.24 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.43 -43.5 97.27 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.858 -1.151 . . . . 0.0 113.93 174.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -85.18 -56.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 O-C-N 120.512 -1.368 . . . . 0.0 114.068 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.262 14.2 t -101.34 58.54 0.87 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-O 125.016 2.341 . . . . 0.0 111.082 -164.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -64.11 -22.04 66.78 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 126.571 1.948 . . . . 0.0 114.328 -174.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -40.27 91.2 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 121.074 -1.016 . . . . 0.0 111.927 171.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 CA--C 1.507 -0.706 0 O-C-N 121.008 -1.058 . . . . 0.0 109.588 -170.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 N--CA 1.442 -0.827 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -143.72 145.83 32.55 Favored Pre-proline 0 N--CA 1.451 -0.38 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 -174.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -57.73 118.69 5.6 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.59 2.193 . . . . 0.0 114.325 177.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.3 mt -66.1 -44.28 91.92 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 C-N-CA 124.519 1.128 . . . . 0.0 111.781 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.34 -44.18 97.61 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.759 1.224 . . . . 0.0 112.591 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.96 98.62 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.082 -1.011 . . . . 0.0 112.748 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 t -62.27 -42.89 99.74 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.926 -1.109 . . . . 0.0 113.357 176.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.81 -48.44 68.96 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.158 0.983 . . . . 0.0 112.652 174.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.13 91.41 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 124.932 1.293 . . . . 0.0 113.491 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.44 -15.83 63.36 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -94.26 -57.82 2.4 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.758 -1.214 . . . . 0.0 110.844 172.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -68.39 -44.02 76.03 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.472 -1.393 . . . . 0.0 113.412 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.16 36.48 2.25 Favored Glycine 0 C--N 1.345 1.032 0 CA-C-O 114.497 -3.39 . . . . 0.0 117.838 -167.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.41 -12.21 33.04 Favored 'Trans proline' 0 C--N 1.346 0.401 1 CA-C-N 127.772 5.786 . . . . 0.0 111.587 -173.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -55.59 -39.69 71.06 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 128.28 2.632 . . . . 0.0 112.251 170.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.46 -38.32 87.07 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 120.606 -1.309 . . . . 0.0 113.4 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -62.9 -44.83 95.04 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 121.16 -0.962 . . . . 0.0 112.09 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.4 m -59.63 -38.8 82.33 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.78 -43.67 95.67 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.729 -1.232 . . . . 0.0 114.155 173.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.6 p -82.59 -53.21 12.2 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 O-C-N 120.209 -1.557 . . . . 0.0 114.178 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 t -101.94 63.48 0.92 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-O 124.341 2.02 . . . . 0.0 110.12 -168.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -61.03 -32.78 72.39 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 126.516 1.926 . . . . 0.0 114.203 -173.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.27 101.33 5.95 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 168.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.238 0.476 0 O-C-N 121.155 -0.966 . . . . 0.0 113.144 -175.93 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 . . . . . 0 N--CA 1.444 -0.766 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp -143.4 162.12 43.92 Favored Pre-proline 0 N--CA 1.449 -0.477 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -172.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -88.58 104.66 0.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 CA-C-N 122.784 2.03 . . . . 0.0 109.613 -171.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.1 mt -61.57 -43.81 97.58 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 125.355 1.462 . . . . 0.0 112.595 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.27 -42.25 98.32 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.319 1.048 . . . . 0.0 112.989 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.42 -43.63 93.73 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 121.069 -1.019 . . . . 0.0 112.846 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.3 t -63.75 -44.06 94.59 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 121.279 -0.888 . . . . 0.0 113.231 175.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.53 -47.08 85.49 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.537 1.135 . . . . 0.0 112.167 175.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.28 92.04 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.34 1.056 . . . . 0.0 113.399 175.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.25 97.22 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 174.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -73.04 -46.55 51.24 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.642 -1.286 . . . . 0.0 114.374 169.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -68.4 -43.2 77.78 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.33 66.51 0.29 Allowed Glycine 0 C--N 1.344 0.996 0 O-C-N 120.212 -1.555 . . . . 0.0 113.793 -173.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.77 -6.09 17.11 Favored 'Trans proline' 0 C--O 1.234 0.279 0 CA-C-N 122.602 3.201 . . . . 0.0 112.234 -174.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -73.78 -22.53 59.8 Favored 'General case' 0 N--CA 1.439 -1.019 0 O-C-N 120.828 -1.17 . . . . 0.0 113.517 170.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 pp -63.58 -43.03 98.19 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 120.903 1.683 . . . . 0.0 112.345 173.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -62.53 -42.25 99.4 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 124.419 1.088 . . . . 0.0 111.939 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 m -59.94 -41.16 91.23 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 123.8 0.84 . . . . 0.0 112.896 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.13 -44.4 88.8 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 174.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.6 p -84.48 -54.5 8.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.457 -1.402 . . . . 0.0 114.133 -175.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -98.64 65.58 1.59 Allowed 'General case' 0 C--N 1.353 0.721 0 CA-C-O 123.663 1.696 . . . . 0.0 110.376 -165.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -74.74 -15.45 60.77 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.467 1.507 . . . . 0.0 114.51 -173.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.1 129.81 50.96 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 167.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.3 t . . . . . 0 CA--C 1.508 -0.649 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 178.27 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 . . . . . 0 N--CA 1.443 -0.808 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -144.26 146.89 35.05 Favored Pre-proline 0 N--CA 1.449 -0.496 0 N-CA-C 105.523 -2.029 . . . . 0.0 105.523 -174.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -58.37 118.2 5.05 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 CA-C-N 123.01 2.111 . . . . 0.0 113.905 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.8 mt -67.95 -45.26 84.13 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 C-N-CA 123.868 0.867 . . . . 0.0 111.961 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.87 -43.68 98.13 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.245 1.018 . . . . 0.0 113.097 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.0 98.07 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 121.164 -0.96 . . . . 0.0 112.626 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.5 m -62.92 -44.31 96.42 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.13 0.972 . . . . 0.0 113.087 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.43 -44.56 94.2 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.026 1.33 . . . . 0.0 112.473 175.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.66 97.88 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.599 1.16 . . . . 0.0 113.284 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.73 98.92 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 120.727 -1.233 . . . . 0.0 113.648 170.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -40.36 96.46 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.764 -1.21 . . . . 0.0 113.096 175.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.88 -40.76 96.51 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 125.378 1.471 . . . . 0.0 111.691 168.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.82 149.19 8.16 Favored Glycine 0 C--N 1.34 0.762 0 C-N-CA 126.152 1.834 . . . . 0.0 110.858 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -70.17 -2.31 10.25 Favored 'Trans proline' 0 C--N 1.332 -0.294 0 C-N-CA 124.508 3.472 . . . . 0.0 115.634 -157.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -33.88 -52.27 0.43 Allowed 'General case' 0 C--N 1.348 0.526 0 C-N-CA 129.194 2.998 . . . . 0.0 116.093 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -62.04 -43.39 98.95 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 125.06 1.344 . . . . 0.0 114.312 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -66.42 -44.78 82.0 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.327 1.051 . . . . 0.0 111.61 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.0 m -60.03 -39.36 85.64 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.62 1.168 . . . . 0.0 113.375 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.45 -43.85 97.82 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.1 p -88.96 -57.68 4.06 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 O-C-N 120.633 -1.292 . . . . 0.0 113.979 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.261 11.7 t -95.14 61.61 2.45 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 125.165 2.412 . . . . 0.0 111.49 -163.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -73.61 -13.72 61.06 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 120.095 -1.628 . . . . 0.0 112.602 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -79.47 -21.29 45.62 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.948 -1.095 . . . . 0.0 113.097 173.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.35 0.611 0 O-C-N 120.668 -1.27 . . . . 0.0 109.998 179.366 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 . . . . . 0 N--CA 1.443 -0.784 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mp -143.66 157.1 59.3 Favored Pre-proline 0 N--CA 1.45 -0.446 0 O-C-N 120.424 -1.422 . . . . 0.0 107.55 -172.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -73.16 84.98 1.27 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.504 2.136 . . . . 0.0 110.836 168.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.4 mt -57.29 -40.58 74.76 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 125.553 1.541 . . . . 0.0 113.113 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.54 -41.69 94.99 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.896 -1.127 . . . . 0.0 113.137 177.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.69 89.87 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.948 -1.095 . . . . 0.0 112.498 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.0 m -62.3 -42.99 99.82 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.124 -0.985 . . . . 0.0 113.432 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.04 -46.71 86.26 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 124.659 1.183 . . . . 0.0 112.158 175.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.55 98.45 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 124.302 1.041 . . . . 0.0 113.281 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.29 98.75 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -44.42 74.81 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.646 -1.284 . . . . 0.0 113.071 173.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -67.4 -46.29 73.66 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.673 1.189 . . . . 0.0 114.04 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.67 79.22 0.09 OUTLIER Glycine 0 C--N 1.345 1.04 0 O-C-N 120.205 -1.56 . . . . 0.0 113.463 -171.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -69.94 -4.16 13.59 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 124.113 3.209 . . . . 0.0 112.119 -174.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -57.59 -37.78 73.79 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.167 1.787 . . . . 0.0 112.472 169.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.01 -43.24 99.27 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.788 -1.195 . . . . 0.0 113.838 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -64.53 -43.16 94.9 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.896 -1.127 . . . . 0.0 112.13 172.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.9 m -60.32 -39.69 87.95 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 125.17 1.388 . . . . 0.0 113.27 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.32 -43.33 99.08 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.79 -1.194 . . . . 0.0 113.992 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.3 p -84.08 -54.95 7.81 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 O-C-N 120.532 -1.355 . . . . 0.0 113.591 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.274 14.9 t -102.24 64.1 0.91 Allowed 'General case' 0 C--N 1.351 0.672 0 CA-C-O 124.824 2.25 . . . . 0.0 110.976 -166.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -61.57 -41.66 97.72 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 126.0 1.72 . . . . 0.0 113.099 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -117.84 102.04 8.78 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 169.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.4 t . . . . . 0 C--O 1.239 0.503 0 O-C-N 121.656 -0.653 . . . . 0.0 112.043 -178.844 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 . . . . . 0 N--CA 1.443 -0.809 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp -143.91 160.8 48.65 Favored Pre-proline 0 N--CA 1.448 -0.531 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -88.78 104.43 0.43 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 CA-C-N 122.61 1.968 . . . . 0.0 109.451 -173.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.6 mm -61.96 -43.53 97.66 Favored 'Isoleucine or valine' 0 C--N 1.347 0.471 0 C-N-CA 125.183 1.393 . . . . 0.0 113.152 -173.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.01 -42.94 99.41 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 120.986 -1.071 . . . . 0.0 112.711 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.47 96.4 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 121.047 -1.033 . . . . 0.0 112.776 174.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.7 t -63.18 -44.09 96.4 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 121.039 -1.038 . . . . 0.0 113.509 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.81 -45.62 91.78 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.825 -1.172 . . . . 0.0 112.064 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.6 -41.58 97.65 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.215 1.006 . . . . 0.0 113.068 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.07 -39.1 88.6 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -74.96 -49.25 20.68 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.287 -1.508 . . . . 0.0 114.125 171.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -75.65 -45.72 35.55 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.184 -1.572 . . . . 0.0 113.29 -173.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.64 52.03 0.7 Allowed Glycine 0 C--N 1.34 0.803 0 CA-C-O 116.615 -2.214 . . . . 0.0 115.711 -167.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -69.08 -8.86 24.76 Favored 'Trans proline' 0 C--N 1.345 0.394 1 CA-C-N 124.407 4.103 . . . . 0.0 110.136 174.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -48.19 -50.86 27.62 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 130.235 3.414 . . . . 0.0 111.584 165.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -67.52 -39.18 85.1 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 120.622 -1.299 . . . . 0.0 113.319 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.79 -43.67 98.39 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 121.198 -0.939 . . . . 0.0 112.102 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.8 p -59.67 -39.75 85.51 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.37 -42.77 98.89 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.931 -1.106 . . . . 0.0 113.879 174.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.7 p -85.32 -57.54 4.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 120.466 -1.396 . . . . 0.0 113.99 -177.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.6 t -94.69 55.24 1.88 Allowed 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.104 -1.623 . . . . 0.0 111.527 -166.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -61.66 -39.68 92.24 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 126.811 2.044 . . . . 0.0 112.977 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -143.95 132.22 21.95 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 172.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 C--N 1.35 0.63 0 O-C-N 121.375 -0.828 . . . . 0.0 111.364 179.448 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 . . . . . 0 N--CA 1.443 -0.806 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp -143.21 161.97 45.24 Favored Pre-proline 0 N--CA 1.448 -0.538 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 -173.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -88.21 105.72 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.58 0 CA-C-N 122.618 1.971 . . . . 0.0 109.523 -171.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 mm -61.25 -43.09 95.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 125.419 1.488 . . . . 0.0 112.906 -174.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.21 -44.16 97.72 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 124.432 1.093 . . . . 0.0 112.48 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.86 95.71 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 121.01 -1.056 . . . . 0.0 112.69 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -60.88 -42.67 98.4 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.97 -1.081 . . . . 0.0 113.178 175.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 tp -67.58 -50.95 55.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.578 -1.326 . . . . 0.0 113.082 173.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.37 89.89 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.58 -15.58 59.15 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.625 -1.297 . . . . 0.0 112.998 -178.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -87.96 -48.67 7.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 121.1 -1.0 . . . . 0.0 112.077 173.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -68.83 -43.12 76.2 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.231 -1.543 . . . . 0.0 112.572 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.16 58.62 0.69 Allowed Glycine 0 C--N 1.342 0.886 0 CA-C-O 116.589 -2.228 . . . . 0.0 115.04 -171.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -58.21 -20.83 48.82 Favored 'Trans proline' 0 C--N 1.343 0.252 0 CA-C-N 124.171 3.986 . . . . 0.0 111.865 168.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -54.02 -44.39 70.91 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 127.613 2.365 . . . . 0.0 113.38 171.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -67.8 -39.94 83.93 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 120.183 -1.573 . . . . 0.0 113.008 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -62.82 -43.58 98.43 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 124.609 1.164 . . . . 0.0 111.955 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.6 t -59.6 -42.61 92.98 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.145 0.978 . . . . 0.0 112.881 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.28 -43.12 99.56 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.558 -1.339 . . . . 0.0 114.373 174.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 p -85.35 -56.01 6.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 120.364 -1.46 . . . . 0.0 114.565 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.254 9.6 t -98.28 62.77 1.51 Allowed 'General case' 0 C--N 1.351 0.671 0 CA-C-O 125.003 2.335 . . . . 0.0 111.273 -163.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -73.91 -13.35 60.89 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 120.217 -1.552 . . . . 0.0 113.779 -174.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -116.71 13.79 15.22 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.948 -1.095 . . . . 0.0 112.057 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 CA--C 1.51 -0.565 0 O-C-N 119.919 -1.738 . . . . 0.0 110.651 177.815 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 49.9 p90 . . . . . 0 N--CA 1.441 -0.894 0 CA-C-O 121.41 0.624 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -143.81 156.36 59.18 Favored Pre-proline 0 N--CA 1.447 -0.604 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.12 84.04 1.74 Allowed 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.541 2.16 . . . . 0.0 111.383 175.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.0 mm -59.74 -45.49 94.5 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 124.911 1.284 . . . . 0.0 113.553 -172.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.05 -44.01 97.6 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 124.142 0.977 . . . . 0.0 112.875 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.88 97.28 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 121.05 -1.031 . . . . 0.0 112.485 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 t -63.66 -43.69 95.99 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.599 -1.313 . . . . 0.0 113.297 174.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.27 -46.02 90.67 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 124.993 1.317 . . . . 0.0 112.166 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.74 -37.51 79.16 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 124.431 1.092 . . . . 0.0 112.572 174.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.03 -11.24 60.27 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.21 -54.16 4.23 Favored 'General case' 0 C--N 1.355 0.804 0 O-C-N 120.132 -1.605 . . . . 0.0 109.49 163.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.87 -43.78 91.82 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -171.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.47 57.97 0.47 Allowed Glycine 0 C--N 1.344 0.983 0 CA-C-O 117.241 -1.866 . . . . 0.0 114.395 -175.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.81 -7.64 18.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 CA-C-N 124.012 3.906 . . . . 0.0 112.48 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -58.06 -41.28 83.02 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 126.56 1.944 . . . . 0.0 111.995 169.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -63.64 -40.81 97.81 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 120.816 -1.178 . . . . 0.0 113.605 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -63.05 -44.07 96.87 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 121.165 -0.96 . . . . 0.0 112.193 175.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -62.25 -41.07 98.11 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.43 1.092 . . . . 0.0 113.111 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.08 -44.18 96.46 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.268 -1.52 . . . . 0.0 114.069 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.18 -51.31 16.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 O-C-N 120.55 -1.344 . . . . 0.0 114.361 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -112.74 124.53 52.79 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 119.451 -2.031 . . . . 0.0 110.607 -169.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -147.7 0.29 0.66 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.917 -163.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.283 45.7 tttp 42.74 48.65 4.89 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 126.627 1.971 . . . . 0.0 115.34 -167.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 CA--C 1.513 -0.444 0 O-C-N 119.983 -1.698 . . . . 0.0 111.453 -177.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 N--CA 1.442 -0.834 0 CA-C-O 121.393 0.616 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -143.71 148.42 42.91 Favored Pre-proline 0 N--CA 1.447 -0.603 0 N-CA-C 104.366 -2.457 . . . . 0.0 104.366 -178.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -57.31 118.28 5.12 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.643 2.228 . . . . 0.0 114.352 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.09 -44.12 91.99 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 C-N-CA 124.342 1.057 . . . . 0.0 112.222 -176.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.61 -43.79 98.2 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.855 1.262 . . . . 0.0 112.415 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.98 98.53 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.247 -0.908 . . . . 0.0 112.664 174.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -62.75 -42.15 99.54 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.877 -1.139 . . . . 0.0 113.648 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.02 -47.29 74.9 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 121.127 -0.983 . . . . 0.0 112.542 174.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.36 95.29 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 124.785 1.234 . . . . 0.0 113.375 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.03 -34.87 73.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 175.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -83.41 -52.81 6.2 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 120.787 -1.195 . . . . 0.0 112.397 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -73.01 -46.08 54.12 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.297 -1.502 . . . . 0.0 113.024 -174.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.3 40.5 1.63 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-O 115.302 -2.943 . . . . 0.0 116.66 -166.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -69.44 -10.42 28.78 Favored 'Trans proline' 0 CA--C 1.515 -0.472 1 CA-C-N 126.451 5.126 . . . . 0.0 111.394 -175.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -56.82 -39.76 74.76 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 127.413 2.285 . . . . 0.0 112.116 171.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.28 -39.18 89.24 Favored 'General case' 0 C--N 1.356 0.878 0 O-C-N 120.831 -1.168 . . . . 0.0 113.199 175.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -62.61 -44.38 96.44 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 121.103 -0.998 . . . . 0.0 112.082 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.5 m -59.26 -38.77 80.9 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.3 -45.38 88.19 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.594 -1.317 . . . . 0.0 114.248 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.9 m -82.68 -51.81 14.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 O-C-N 120.269 -1.519 . . . . 0.0 114.569 -176.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.27 11.3 t -98.78 60.28 1.26 Allowed 'General case' 0 C--N 1.352 0.694 0 CA-C-O 124.643 2.163 . . . . 0.0 111.633 -164.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -59.84 -30.92 69.28 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 126.388 1.875 . . . . 0.0 113.375 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -95.01 -3.51 48.25 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.354 1.062 . . . . 0.0 112.352 -173.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.35 0.598 0 O-C-N 119.917 -1.74 . . . . 0.0 111.215 178.844 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 N--CA 1.443 -0.807 0 CA-C-O 121.27 0.557 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -143.77 147.05 37.23 Favored Pre-proline 0 N--CA 1.447 -0.585 0 N-CA-C 104.778 -2.304 . . . . 0.0 104.778 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -57.69 118.18 5.01 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.674 2.249 . . . . 0.0 114.47 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.91 -44.97 88.44 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 C-N-CA 124.379 1.072 . . . . 0.0 111.939 -177.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.8 -44.43 96.88 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 124.537 1.135 . . . . 0.0 112.611 -178.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.06 98.27 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.113 -0.992 . . . . 0.0 112.755 174.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 t -62.15 -43.32 99.09 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.972 -1.08 . . . . 0.0 113.275 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.3 tp -67.0 -47.54 71.19 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 121.196 -0.94 . . . . 0.0 113.37 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.55 95.66 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.739 1.216 . . . . 0.0 113.266 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.82 -16.16 63.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -91.84 -54.87 3.68 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 120.769 -1.207 . . . . 0.0 111.058 171.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -67.43 -43.9 80.04 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.554 -1.341 . . . . 0.0 113.359 -176.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.54 52.59 0.59 Allowed Glycine 0 C--N 1.343 0.964 0 CA-C-O 116.138 -2.479 . . . . 0.0 115.888 -170.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -60.03 -22.14 68.08 Favored 'Trans proline' 0 C--N 1.346 0.408 1 CA-C-N 124.628 4.214 . . . . 0.0 111.426 173.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' H ' ' HG3' ' A' ' 15' ' ' LYS . 44.3 mttt -37.45 -48.43 0.96 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 130.807 3.643 . . . . 0.0 113.881 163.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.0 -39.02 83.32 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.688 -1.258 . . . . 0.0 113.617 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -63.32 -43.87 96.57 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.967 -1.083 . . . . 0.0 111.804 177.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 m -59.7 -38.95 82.99 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.277 1.031 . . . . 0.0 113.459 175.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.11 -43.05 99.51 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.68 -1.262 . . . . 0.0 113.963 172.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.5 m -83.24 -54.89 8.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.674 0 O-C-N 120.535 -1.353 . . . . 0.0 114.379 -177.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.29 7.9 t -97.41 56.94 1.37 Allowed 'General case' 0 C--N 1.354 0.803 0 CA-C-O 125.32 2.486 . . . . 0.0 111.635 -164.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -62.74 -38.24 89.75 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.925 2.09 . . . . 0.0 113.055 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.25 106.58 14.51 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 104.261 -2.496 . . . . 0.0 104.261 165.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 t . . . . . 0 C--N 1.345 0.405 0 CA-C-O 121.915 0.864 . . . . 0.0 112.106 -177.486 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 . . . . . 0 N--CA 1.445 -0.72 0 CA-C-O 122.074 0.94 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.7 mp -121.07 154.48 58.19 Favored Pre-proline 0 N--CA 1.448 -0.545 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -87.35 106.36 0.63 Allowed 'Trans proline' 0 N--CA 1.459 -0.525 0 CA-C-N 122.968 2.096 . . . . 0.0 110.436 -155.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.1 mt -60.71 -43.16 94.48 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 C-N-CA 126.068 1.747 . . . . 0.0 112.376 -175.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.29 -43.69 98.45 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 124.505 1.122 . . . . 0.0 112.422 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.31 96.88 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.062 -1.024 . . . . 0.0 112.646 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 t -62.57 -42.01 99.29 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.641 -1.287 . . . . 0.0 113.791 174.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.91 -46.42 81.76 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.54 1.136 . . . . 0.0 112.061 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.29 90.5 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.042 1.337 . . . . 0.0 113.278 176.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.09 -33.67 72.42 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.485 -1.384 . . . . 0.0 114.624 174.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -87.41 -56.5 3.34 Favored 'General case' 0 C--N 1.347 0.463 0 O-C-N 120.879 -1.138 . . . . 0.0 112.709 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -78.41 -44.73 24.08 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 119.882 -1.761 . . . . 0.0 111.905 -175.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.53 19.67 36.08 Favored Glycine 0 C--N 1.34 0.805 1 CA-C-O 113.303 -4.054 . . . . 0.0 119.477 -167.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.75 -6.79 19.43 Favored 'Trans proline' 0 C--N 1.351 0.687 1 CA-C-N 130.089 6.945 . . . . 0.0 110.984 -174.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' HG2' ' H ' ' A' ' 15' ' ' LYS . 5.6 mmtp -53.93 -47.08 71.59 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 128.675 2.79 . . . . 0.0 111.089 165.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.71 -40.02 76.54 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.703 -1.248 . . . . 0.0 113.154 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.56 -42.97 99.62 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.968 -1.082 . . . . 0.0 111.806 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -60.93 -38.29 85.29 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.312 1.445 . . . . 0.0 113.26 174.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.55 -41.71 99.08 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.509 -1.369 . . . . 0.0 113.805 171.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.669 HG13 ' H ' ' A' ' 21' ' ' THR 0.294 9.6 p -86.18 -102.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 119.533 1.061 . . . . 0.0 113.248 178.011 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.669 ' H ' HG13 ' A' ' 20' ' ' VAL . 7.4 t -67.71 141.65 56.56 Favored 'General case' 0 C--N 1.347 0.5 0 O-C-N 119.656 -1.902 . . . . 0.0 115.127 -170.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -147.61 11.02 0.97 Allowed 'General case' 0 C--N 1.349 0.55 0 O-C-N 121.044 -1.035 . . . . 0.0 109.352 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.279 0.0 OUTLIER 51.68 49.73 20.22 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 123.665 1.698 . . . . 0.0 114.22 -169.765 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.238 0.452 0 O-C-N 119.68 -1.888 . . . . 0.0 112.402 175.534 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 . . . . . 0 N--CA 1.445 -0.697 0 CA-C-O 121.923 0.868 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.08 126.81 26.47 Favored Pre-proline 0 N--CA 1.448 -0.574 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 173.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -57.13 118.8 5.73 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 123.156 2.57 . . . . 0.0 115.366 -163.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.46 -44.52 94.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 C-N-CA 124.835 1.254 . . . . 0.0 112.041 -175.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.88 -44.5 96.67 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.551 1.14 . . . . 0.0 112.11 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.16 98.07 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 121.272 -0.892 . . . . 0.0 112.689 174.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -61.86 -42.61 99.26 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.74 -1.225 . . . . 0.0 113.593 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.24 -48.61 69.95 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.525 -1.359 . . . . 0.0 112.406 173.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.07 85.78 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.196 1.399 . . . . 0.0 113.741 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.3 -31.43 69.13 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 120.486 -1.384 . . . . 0.0 114.581 174.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -90.98 -55.88 3.39 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.719 -1.238 . . . . 0.0 111.864 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -72.99 -47.7 42.94 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.018 -1.676 . . . . 0.0 112.476 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.98 18.0 40.62 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-O 113.939 -3.701 . . . . 0.0 119.565 -169.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -70.24 -7.16 20.54 Favored 'Trans proline' 0 C--N 1.35 0.636 1 CA-C-N 129.746 6.773 . . . . 0.0 110.712 -175.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 15' ' ' LYS . 13.6 mmtm -57.57 -47.16 82.85 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 127.805 2.442 . . . . 0.0 111.123 169.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -76.01 -36.88 58.98 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 120.996 -1.065 . . . . 0.0 112.484 176.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -59.67 -40.03 86.43 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 121.013 -1.054 . . . . 0.0 112.197 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.6 t -56.86 -40.22 75.72 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 121.309 -0.869 . . . . 0.0 113.193 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.81 -48.8 70.5 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.1 p -73.61 -38.71 52.51 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -87.41 16.7 5.1 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.031 -2.293 . . . . 0.0 113.498 -162.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -70.82 -14.85 62.56 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 118.79 -2.444 . . . . 0.0 114.879 -174.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -100.39 13.27 35.03 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.112 -0.992 . . . . 0.0 111.839 172.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.349 0.556 0 O-C-N 120.649 -1.282 . . . . 0.0 111.09 175.736 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -159.25 163.89 22.34 Favored Pre-proline 0 N--CA 1.445 -0.682 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -172.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -89.04 103.35 0.39 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 CA-C-N 122.581 1.958 . . . . 0.0 108.193 -177.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.49 -44.21 98.67 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 C-N-CA 124.793 1.237 . . . . 0.0 112.546 -173.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.36 -43.98 97.54 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 121.078 -1.014 . . . . 0.0 112.741 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.84 97.0 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 121.094 -1.004 . . . . 0.0 112.644 174.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.6 m -62.91 -43.38 98.95 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.516 1.127 . . . . 0.0 113.47 176.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.55 -46.2 83.83 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.546 1.139 . . . . 0.0 112.021 173.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.49 87.21 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.772 1.229 . . . . 0.0 113.205 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.13 81.79 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -80.1 -49.93 11.04 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.238 -1.539 . . . . 0.0 113.635 170.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -72.39 -47.05 52.37 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.163 -1.586 . . . . 0.0 113.552 -172.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.81 42.75 1.32 Allowed Glycine 0 C--N 1.339 0.709 0 CA-C-O 115.372 -2.904 . . . . 0.0 116.36 -166.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -70.13 -10.19 27.7 Favored 'Trans proline' 0 CA--C 1.516 -0.388 1 CA-C-N 126.398 5.099 . . . . 0.0 111.37 -173.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -57.98 -38.06 75.36 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 127.838 2.455 . . . . 0.0 112.271 170.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.88 -38.73 89.55 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.227 -1.545 . . . . 0.0 113.055 176.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -64.01 -46.98 82.1 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 121.371 -0.83 . . . . 0.0 113.074 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.3 p -66.52 -37.45 85.07 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.47 -45.88 91.02 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.379 -1.45 . . . . 0.0 113.77 171.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.52 -49.68 29.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 O-C-N 120.381 -1.45 . . . . 0.0 114.224 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.8 t -112.27 118.41 35.19 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 123.751 1.739 . . . . 0.0 110.145 -174.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -120.03 15.43 12.43 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.623 -1.172 . . . . 0.0 109.417 -169.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -117.42 17.54 14.56 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.328 -0.858 . . . . 0.0 109.701 172.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.509 -0.613 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.788 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 . . . . . 0 N--CA 1.442 -0.866 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -161.2 164.33 18.87 Favored Pre-proline 0 N--CA 1.446 -0.665 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -88.98 105.55 0.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.607 0 CA-C-N 122.807 2.038 . . . . 0.0 109.329 -172.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.3 mm -61.51 -43.56 97.08 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 C-N-CA 125.26 1.424 . . . . 0.0 112.848 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.35 -44.17 97.63 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.595 1.158 . . . . 0.0 112.401 178.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.95 97.61 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 121.107 -0.996 . . . . 0.0 112.554 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 t -62.06 -42.24 98.98 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.744 -1.223 . . . . 0.0 113.605 175.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.18 -47.32 74.33 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.994 -1.066 . . . . 0.0 112.464 173.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.4 92.63 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.822 1.249 . . . . 0.0 113.5 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.54 -35.54 76.27 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 174.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -80.03 -49.98 11.03 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.924 -1.11 . . . . 0.0 112.67 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -69.09 -42.88 75.56 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.458 -1.402 . . . . 0.0 113.03 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.16 42.09 1.47 Allowed Glycine 0 C--N 1.342 0.914 0 CA-C-O 115.29 -2.95 . . . . 0.0 116.989 -167.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -59.71 -22.01 65.66 Favored 'Trans proline' 0 C--N 1.346 0.404 1 CA-C-N 126.53 5.165 . . . . 0.0 112.084 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -55.29 -45.36 76.2 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.158 2.583 . . . . 0.0 113.063 172.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.97 -40.89 78.6 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.2 -1.562 . . . . 0.0 113.14 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -62.63 -43.02 99.86 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.517 1.127 . . . . 0.0 111.976 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -60.17 -40.99 91.91 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 124.82 1.248 . . . . 0.0 113.035 175.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.16 -42.24 99.4 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.625 -1.297 . . . . 0.0 114.19 173.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 p -82.17 -56.0 6.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 O-C-N 120.278 -1.514 . . . . 0.0 114.286 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.281 12.5 t -99.03 58.23 1.12 Allowed 'General case' 0 C--N 1.354 0.774 0 CA-C-O 125.079 2.371 . . . . 0.0 111.225 -166.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -61.13 -39.59 90.6 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.717 2.007 . . . . 0.0 113.208 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -117.56 104.42 11.03 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 164.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.9 t . . . . . 0 C--O 1.239 0.517 0 O-C-N 121.488 -0.758 . . . . 0.0 111.863 176.467 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 . . . . . 0 N--CA 1.441 -0.901 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.68 141.37 98.27 Favored Pre-proline 0 C--N 1.351 0.633 0 O-C-N 120.317 -1.49 . . . . 0.0 109.933 166.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -56.75 118.51 5.37 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.936 2.424 . . . . 0.0 115.196 -161.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 76.1 mt -65.47 -44.26 94.26 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 124.796 1.238 . . . . 0.0 111.711 -175.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.41 -43.79 97.97 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.326 1.05 . . . . 0.0 112.801 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.58 95.15 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 121.147 -0.97 . . . . 0.0 112.555 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.3 m -62.91 -44.72 95.32 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 124.432 1.093 . . . . 0.0 113.236 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.55 -44.21 94.84 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 125.125 1.37 . . . . 0.0 112.265 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.54 99.01 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.28 1.032 . . . . 0.0 113.162 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.05 97.63 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.759 -1.213 . . . . 0.0 113.619 171.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -40.36 97.11 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 124.526 1.131 . . . . 0.0 112.947 174.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -62.45 -40.92 98.18 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 124.934 1.294 . . . . 0.0 111.889 169.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.38 155.04 6.51 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 124.597 1.094 . . . . 0.0 111.402 166.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -68.77 -0.6 6.32 Favored 'Trans proline' 0 C--N 1.334 -0.199 0 C-N-CA 124.952 3.768 . . . . 0.0 114.311 -167.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -27.86 -66.23 0.07 Allowed 'General case' 0 C--N 1.345 0.382 0 C-N-CA 130.792 3.637 . . . . 0.0 115.745 174.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -62.15 -44.14 97.27 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.353 1.461 . . . . 0.0 114.551 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -63.99 -42.3 97.24 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.548 1.139 . . . . 0.0 111.501 177.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.7 m -61.64 -38.51 87.96 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 125.613 1.565 . . . . 0.0 112.924 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.6 mt -65.76 -50.71 63.77 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.526 -1.359 . . . . 0.0 113.932 170.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -83.55 -48.12 17.55 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -171.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.303 13.9 t -102.94 72.8 1.21 Allowed 'General case' 0 C--N 1.351 0.632 0 CA-C-O 124.96 2.314 . . . . 0.0 110.788 -165.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -89.56 2.17 54.99 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 120.017 -1.677 . . . . 0.0 111.879 -176.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -108.54 23.56 14.35 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 123.949 0.9 . . . . 0.0 109.634 173.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.349 0.552 0 C-N-CA 124.198 0.999 . . . . 0.0 112.256 177.507 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 N--CA 1.443 -0.801 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.79 146.52 98.42 Favored Pre-proline 0 C--N 1.346 0.432 0 O-C-N 120.536 -1.352 . . . . 0.0 109.561 165.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -86.2 106.28 0.8 Allowed 'Trans proline' 0 N--CA 1.462 -0.364 0 CA-C-N 124.295 2.57 . . . . 0.0 110.856 -153.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.08 -44.48 95.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 126.0 1.72 . . . . 0.0 113.264 -171.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.23 -45.0 95.29 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.156 -0.965 . . . . 0.0 112.413 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.18 95.29 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 121.16 -0.963 . . . . 0.0 112.456 174.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -61.71 -42.36 98.85 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.899 -1.126 . . . . 0.0 113.506 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.07 -48.85 69.64 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.565 -1.334 . . . . 0.0 112.226 173.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.02 -39.54 92.63 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.894 1.278 . . . . 0.0 113.63 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.34 -35.97 76.87 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -85.05 -50.34 7.53 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.892 -1.13 . . . . 0.0 112.322 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -69.54 -43.27 73.33 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.43 -1.419 . . . . 0.0 113.284 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.58 45.59 1.1 Allowed Glycine 0 C--N 1.342 0.887 0 CA-C-O 115.616 -2.769 . . . . 0.0 116.528 -167.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -67.57 -12.8 36.9 Favored 'Trans proline' 0 CA--C 1.518 -0.292 1 CA-C-N 126.135 4.967 . . . . 0.0 111.451 -178.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -39.42 82.5 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 125.417 1.487 . . . . 0.0 113.416 167.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 pp -67.29 -41.96 84.55 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.267 -1.521 . . . . 0.0 112.789 175.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -62.15 -41.56 98.41 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 121.003 -1.061 . . . . 0.0 112.227 174.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.8 t -58.98 -40.62 85.38 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.429 -0.795 . . . . 0.0 112.98 173.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.79 -48.76 73.29 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 120.556 -1.34 . . . . 0.0 114.478 173.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.0 m -76.12 -46.6 33.58 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.274 13.8 t -104.55 56.16 0.71 Allowed 'General case' 0 C--N 1.352 0.703 0 O-C-N 119.342 -2.099 . . . . 0.0 111.558 -168.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -75.93 -17.76 59.63 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 119.437 -2.039 . . . . 0.0 112.536 172.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -40.71 90.57 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 121.279 -0.888 . . . . 0.0 112.162 168.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 CA--C 1.509 -0.634 0 O-C-N 120.433 -1.417 . . . . 0.0 108.861 177.858 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . 0.29 12.6 p90 . . . . . 0 N--CA 1.444 -0.744 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -160.86 159.59 25.14 Favored Pre-proline 0 N--CA 1.45 -0.446 0 O-C-N 120.565 -1.335 . . . . 0.0 108.15 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.57 83.37 1.92 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 CA-C-N 123.137 2.156 . . . . 0.0 111.355 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.2 mt -57.04 -43.14 80.61 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 125.547 1.539 . . . . 0.0 113.029 -171.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.47 -42.12 98.29 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 124.52 1.128 . . . . 0.0 113.103 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.42 -44.3 87.81 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.036 -1.04 . . . . 0.0 112.468 176.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 m -61.84 -43.09 99.54 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 124.055 0.942 . . . . 0.0 113.311 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.35 -46.27 87.33 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.038 -1.038 . . . . 0.0 112.215 175.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.2 99.02 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 121.082 -1.011 . . . . 0.0 113.36 175.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.81 99.68 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.36 1.064 . . . . 0.0 113.513 173.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -66.63 -41.85 87.66 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.493 -1.38 . . . . 0.0 113.54 172.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -68.52 -47.42 67.01 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.573 1.149 . . . . 0.0 113.57 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.34 83.88 0.07 OUTLIER Glycine 0 C--N 1.345 1.065 0 O-C-N 120.341 -1.474 . . . . 0.0 113.028 -172.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.87 -4.08 14.05 Favored 'Trans proline' 0 CA--C 1.521 -0.132 0 C-N-CA 123.939 3.092 . . . . 0.0 112.555 -171.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.23 -35.77 70.1 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.566 1.946 . . . . 0.0 112.446 172.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 pp -60.61 -41.5 94.91 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.932 -1.105 . . . . 0.0 113.649 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -64.29 -43.52 94.5 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.871 -1.143 . . . . 0.0 112.454 174.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -61.08 -42.49 98.6 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 124.115 0.966 . . . . 0.0 113.008 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.55 -44.16 97.03 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.751 -1.218 . . . . 0.0 114.016 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -76.98 -51.36 18.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 120.271 -1.518 . . . . 0.0 113.902 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 t -105.9 106.92 17.66 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 123.964 1.84 . . . . 0.0 110.521 -173.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -112.23 8.55 19.83 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.273 -1.331 . . . . 0.0 111.044 -170.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -102.53 10.47 38.82 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 120.93 -1.106 . . . . 0.0 109.748 171.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 CA--C 1.514 -0.442 0 C-N-CA 125.214 1.406 . . . . 0.0 113.298 -170.521 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 . . . . . 0 N--CA 1.443 -0.797 0 CA-C-O 120.917 0.389 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp -146.61 163.4 29.63 Favored Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 -174.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -87.23 102.54 0.54 Allowed 'Trans proline' 0 N--CA 1.459 -0.505 0 CA-C-N 123.417 2.256 . . . . 0.0 109.51 -173.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.7 mm -60.45 -41.67 88.35 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 C-N-CA 125.378 1.471 . . . . 0.0 113.541 -169.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.99 -42.02 97.61 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 124.549 1.14 . . . . 0.0 113.142 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.27 87.16 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 121.165 -0.959 . . . . 0.0 112.479 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.5 m -62.61 -43.26 99.24 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.103 0.961 . . . . 0.0 113.474 175.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.2 -46.36 87.43 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 124.262 1.025 . . . . 0.0 112.107 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.74 98.55 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 121.115 -0.991 . . . . 0.0 113.18 175.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.47 99.76 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 173.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -42.45 82.07 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.401 -1.437 . . . . 0.0 113.051 174.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -67.76 -47.07 70.24 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.523 -1.361 . . . . 0.0 113.693 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.42 82.7 0.08 OUTLIER Glycine 0 C--N 1.345 1.051 0 O-C-N 120.157 -1.589 . . . . 0.0 113.46 -171.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.49 -4.24 14.11 Favored 'Trans proline' 0 C--N 1.336 -0.113 0 C-N-CA 124.009 3.139 . . . . 0.0 112.41 -171.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -36.84 69.79 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.606 1.962 . . . . 0.0 112.454 172.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.38 -42.83 99.34 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 120.842 -1.161 . . . . 0.0 113.714 176.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -64.55 -42.3 95.78 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.822 -1.174 . . . . 0.0 112.444 173.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.4 t -60.11 -43.25 95.74 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 124.292 1.037 . . . . 0.0 112.864 177.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.65 -44.13 97.54 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 m -79.29 -54.05 12.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 O-C-N 120.181 -1.574 . . . . 0.0 113.448 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -104.75 60.73 0.7 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 123.979 1.847 . . . . 0.0 109.866 -170.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -60.44 -44.04 96.22 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 126.848 2.059 . . . . 0.0 113.668 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.8 mttp 73.88 22.21 2.51 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 126.025 1.73 . . . . 0.0 112.083 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.2 t . . . . . 0 N--CA 1.446 -0.656 0 N-CA-C 105.507 -2.035 . . . . 0.0 105.507 174.859 . . . . . . . . 0 0 . 1 stop_ save_